SCHEMBL9822990

SCHEMBL9822990

O=C1C2CC(C(=O)N1CCCCN1CCN(c3ncccn3)CC1)C1CCCC21

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.67
HTR1A P08908 1/20 0.67
DRD4 P21917 1/20 0.67

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
SCHEMBL10781927 0.88 DRD2 (0.70) DRD2HTR1ADRD4
SCHEMBL10836726 0.87 DRD2 (0.73) DRD2HTR1ADRD4
Hydrochloric Acid SCHEMBL10782020 0.86 DRD2 (0.70) DRD2HTR1ADRD4
SCHEMBL10787025 0.86 DRD2 (0.68) DRD2HTR1ADRD4
Hydrochloric Acid SCHEMBL10836083 0.86 DRD2 (0.73) DRD2HTR1ADRD4
SCHEMBL9539310 0.86 DRD2 (0.64) DRD2HTR1ADRD4
SCHEMBL9587786 0.85 DRD2 (0.70) DRD2HTR1ADRD4
Hydrochloric Acid SCHEMBL10787472 0.85 DRD2 (0.69) DRD2HTR1ADRD4
SCHEMBL10783585 0.85 DRD2 (0.66) DRD2HTR1ADRD4
SCHEMBL10835599 0.85 DRD2 (0.69) DRD2HTR1ADRD4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286263-B1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-15 EP claimed
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US claimed
EP-0286263-A1 Psychotropic polycyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-12 EP claimed
WO-1988007529-A1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO claimed
EP-0286263-B1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-15 EP disclosed
US-4824999-A INTERMEDIATES FOR ANTIPSYCHOTIC AND ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-25 US disclosed
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US disclosed
EP-0286263-A1 Psychotropic polycyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-12 EP disclosed