SCHEMBL5178283

SCHEMBL5178283

O=C1CCCN1CCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.67
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
DRD3 P35462 1/20 0.60
SIGMAR1 Q99720 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5177912 0.96 KCNH2 (0.65) KCNH2ADRA1AADRA1BDRD2DRD4
SCHEMBL5177937 0.86 ADRA1B (0.63) ADRA1AADRA1BDRD2DRD4DRD3
SCHEMBL6869328 0.86 DRD2 (0.71) KCNH2ADRA1BDRD2DRD4DRD3
SCHEMBL5178130 0.86 ADRA1B (0.62) ADRA1AADRA1BDRD2DRD4DRD3
SCHEMBL30767216 0.85 KCNH2 (0.90) KCNH2DRD2SIGMAR1
Hydrochloric Acid SCHEMBL6870505 0.85 DRD2 (0.70) KCNH2ADRA1BDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7658247 0.84 KCNH2 (0.88) KCNH2DRD2SIGMAR1
SCHEMBL6867106 0.83 DRD2 (0.78) KCNH2DRD2DRD4DRD3SIGMAR1
Hydrochloric Acid SCHEMBL7653425 0.82 DRD2 (0.77) KCNH2DRD2DRD4DRD3SIGMAR1
SCHEMBL5177495 0.82 ADRA1B (0.57) ADRA1AADRA1BDRD2DRD4DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911330-B1 1-(4-Arylpiperazine-1-y1)-3-(2-oxopyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders COUNCIL SCIENT IND RES (IN) 2007-12-12 EP claimed
EP-0913397-B1 A proces for the synthesis of 1-(4-Arylpiperazine-1-y1)-3-(2-oxypyrrolidin/piperidin-1-yl)propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders COUNCIL SCIENT IND RES (IN) 2006-07-05 EP claimed
US-6150367-A 1-(4-ARYLPIPERAZIN-1-YL)-3-(2-OXOPYRROLIDIN-1-YL )PROPANE OR 1-(4-ARYLPIPERAZIN-1-YL)-3-(2-OXOPIPERIDIN-1-YL )PROPANE CAN BE USED AS THERAPEUTIC AGENTS FOR HYPERTENSION, ISCHEMIA, AND OTHER CARDIOVASCULAR DISORDERS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2000-11-21 US claimed
EP-0913397-A1 A proces for the synthesis of 1-(4-Arylpiperazine-1-y1)-3-(2-oxypyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders Council of Scientific and Industrial Research (IN) 1999-05-06 EP claimed
EP-0911330-A1 1-(4-Arylpiperazine-1-y1)-3-(2-oxopyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders Council of Scientific & Industrial Research (IN) 1999-04-28 EP claimed
JP-11158143-A None JP disclosed
EP-0911330-B1 1-(4-Arylpiperazine-1-y1)-3-(2-oxopyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders COUNCIL SCIENT IND RES (IN) 2007-12-12 EP disclosed
EP-0913397-B1 A proces for the synthesis of 1-(4-Arylpiperazine-1-y1)-3-(2-oxypyrrolidin/piperidin-1-yl)propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders COUNCIL SCIENT IND RES (IN) 2006-07-05 EP disclosed
US-6150367-A 1-(4-ARYLPIPERAZIN-1-YL)-3-(2-OXOPYRROLIDIN-1-YL )PROPANE OR 1-(4-ARYLPIPERAZIN-1-YL)-3-(2-OXOPIPERIDIN-1-YL )PROPANE CAN BE USED AS THERAPEUTIC AGENTS FOR HYPERTENSION, ISCHEMIA, AND OTHER CARDIOVASCULAR DISORDERS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2000-11-21 US disclosed
US-6084097-A BY CONDENSING A PYRIDYL PIPERAZINE OR A SUBSTITUTED PHENYL PIPERAZINE WITH 1-CHLORO-3-(2-OXOPYRROLIDIN-1-YL)PROPANE OR 1-CHLORO-3-(2-OXOPIPERIDIN-1-YL)PROPANE IN THE PRESENCE OF A BASE, A CATALYST AND ORGANIC SOLVENT; ANTIHYPERTENSIVE AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2000-07-04 US disclosed
JP-H11158143-A 1-(4-ALLYLPIPERAZIN-1-YL)-3-(2-OXO-PYRROLIDIN/PIPERDIN-1-YL)PROPANE USED AS POTENTIAL THERAPEUTIC AGENT FOR HYPERTENSION AND DISEASE RELATED TO ISCHEMIA, CARDIOVASCULAR SYSTEM AND OTHER ADRENALINE RECEPTOR, PRODUCTION OF THE SAME COMPOUND AND TREATMENT OF THE SAME DISEASE USING THE SAME COMPOUND COUNCIL SCIENT IND RES 1999-06-15 JP disclosed
EP-0913397-A1 A proces for the synthesis of 1-(4-Arylpiperazine-1-y1)-3-(2-oxypyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders Council of Scientific and Industrial Research (IN) 1999-05-06 EP disclosed
EP-0911330-A1 1-(4-Arylpiperazine-1-y1)-3-(2-oxopyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders Council of Scientific & Industrial Research (IN) 1999-04-28 EP disclosed