SCHEMBL8963551

SCHEMBL8963551

COc1cccc(-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
PIN1 Q13526 1/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
USP2 O75604 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPN P05981 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL8964060 0.89 DRD2 (0.53) DRD2DRD4DRD3LMNAMAPT
SCHEMBL8963843 0.88 CYP3A4 (0.54) DRD2DRD4DRD3PIN1LMNA
SCHEMBL8963668 0.88 DRD2 (0.64) DRD2DRD4DRD3LMNAMAPT
SCHEMBL8963520 0.87 DRD2 (0.45) DRD2DRD4DRD3LMNAMAPT
SCHEMBL9424936 0.86 MAPT (0.53) DRD2DRD4DRD3LMNAMAPT
SCHEMBL8963779 0.86 CYP3A4 (0.53) DRD2DRD4DRD3PIN1LMNA
SCHEMBL8963659 0.85 MAPT (0.52) DRD2DRD4DRD3LMNAMAPT
SCHEMBL8964163 0.84 DRD2 (0.51) DRD2DRD4DRD3LMNAUSP2
SCHEMBL8963786 0.83 DRD2 (0.50) DRD2DRD4DRD3PIN1LMNA
Hydrochloric Acid SCHEMBL8963924 0.82 MEN1 (0.47) DRD2PIN1LMNAMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed
US-5276034-A Cardiovascular disorders, nervous system disorders, diuretics, antiischemic agents or antispasmodic agents SYNTEX PHARMACEUTICAL LTD. (GB) 1994-01-04 US disclosed
US-5252736-A Calcium channel antagonists SYNTEX PHARMACEUTICALS, LTD. (GB) 1993-10-12 US disclosed
EP-0289227-B1 SUBSTITUTED IMIDAZOLYL-ALKYL-PIPERAZINE AND -DIAZEPINE DERIVATIVES SYNTEX PHARMACEUTICALS LTD. (GB) 1992-04-08 EP disclosed
US-5091428-A Calcium channel blockers preferential for cerebral blood vessels SYNTEX PHARMACEUTICALS, LTD. (BM) 1992-02-25 US disclosed
US-5043447-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1991-08-27 US disclosed
US-5010075-A Antiepilepic, hypotensive, antiarrhythmia, antiischemic agent SYNTEX PHARMACEUTICALS LTD. (GB) 1991-04-23 US disclosed
US-4935417-A CALCIUM CHANNEL BLOCKERS SYNTEX PHARMACEUTICALS LTD. (BM) 1990-06-19 US disclosed
US-4829065-A Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS, LTD. (GB) 1989-05-09 US disclosed
EP-0289227-A1 Substituted imidazolyl-alkyl-piperazine and -diazepine derivatives SYNTEX PHARMACEUTICALS LTD. (GB) 1988-11-02 EP disclosed