SCHEMBL7656340

SCHEMBL7656340

NCCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.59
DRD2 P14416 6/20 0.57
HTR1A P08908 5/20 0.57
DRD3 P35462 5/20 0.57
HTR2A P28223 4/20 0.57
DRD1 P21728 3/20 0.57
DRD5 P21918 2/20 0.57
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL4447104 0.96 DRD2 (0.58) CYP2D6DRD2HTR1ADRD3HTR2A
SCHEMBL1307809 0.91 POLB (0.53) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL26108581 0.89 HTR1A (0.65) CYP2D6DRD2HTR1ADRD3HTR2A
SCHEMBL26492991 0.89 HTR1A (0.65) CYP2D6DRD2HTR1ADRD3HTR2A
Hydrochloric Acid SCHEMBL26108377 0.87 DRD2 (0.63) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL1254644 0.85 HTR1A (0.57) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL15383634 0.85 DRD2 (0.48) CYP2D6DRD2HTR1ADRD3HTR2A
SCHEMBL9260064 0.84 HTR1A (0.60) CYP2D6DRD2HTR1ADRD3HTR2A
SCHEMBL9286378 0.84 LMNA (0.59) DRD2HTR1ADRD3HTR2ADRD1
SCHEMBL10532680 0.84 HTR1A (0.56) DRD2HTR1ADRD3HTR2ADRD1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462047-B1 CONTAINING 5- OR 6-MEMBERED OXYGEN, NITROGEN AND/OR SULFUR HETEROARYL GROUP; ANGINA, HYPERTENSION, RESPIRATORY DISTRESS, CONGESTIVE HEART FAILURE, RENAL FAILURE, ATHEROSCLEROSIS, INFLAMMATORY DISEASES, STROKES, BRONCHITIS, ASTHMA ICOS CORPORATION 2002-10-08 US disclosed
US-6432946-B1 PSYCHOLOGICAL DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2002-08-13 US disclosed
EP-1027347-A2 3-AMINOALKYLAMINO-2H-1,4-BENZOXA(THIA-)ZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NEUROGEN CORPORATION (US) 2000-08-16 EP disclosed
US-6100255-A BIND SELECTIVELY WITH HIGH AFFINITY TO THE DOPAMINE D4 RECEPTOR SUBTYPE; USE IN TREATING VARIOUS NEUROPSYCHOLOGICAL DISORDERS, INCLUDING ALZHEIMER'S DISEASE, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR TARDIVE DYSKINESIA NEUROGEN CORPORATION (US) 2000-08-08 US disclosed
WO-1999023092-A2 3-AMINOALKYLAMINO-2H-1,4-BENZOXA(THIA-)ZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NEUROGEN CORPORATION (US) 1999-05-14 WO disclosed
CN-1177957-A Indole derivatives for the treatment of osteoporosis SMITHKLINE BEECHAM SPA (IT) 1998-04-01 CN disclosed
EP-0343961-B1 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PROD (US) 1996-01-10 EP disclosed
US-5482940-A OBESITY, ALCOHOLISM AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5380725-A Antipsychotic agents and anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-10 US disclosed
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
EP-0129128-B1 2-PYRIMIDINYL-1-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Troponwerke GmbH & Co. KG (DE) 1990-11-22 EP disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed
EP-0343961-A2 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-29 EP disclosed
US-4882432-A ANTIDEPRESSANT, ANTIPSYCHOTIC AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-21 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 US disclosed
EP-0082402-B1 SUCCINIMIDE DERIVATES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-02 EP disclosed
US-4543355-A Substituted succinimides, compositions and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-24 US disclosed
US-4507303-A Succinimide derivatives, compositions and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-03-26 US disclosed
EP-0129128-A2 2-Pyrimidinyl-1-piperazine derivatives, process for their preparation and medicines containing them Troponwerke GmbH & Co. KG (DE) 1984-12-27 EP disclosed
EP-0082402-A2 Succinimide derivates and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-29 EP disclosed