SCHEMBL8963779

SCHEMBL8963779

Cc1[nH]c(-c2cccc(Cl)c2)nc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
CNR1 P21554 2/20 0.53
HRH1 P35367 2/20 0.53
OPRK1 P41145 2/20 0.53
KCNH2 Q12809 2/20 0.53
GHSR Q92847 2/20 0.53
CYP2C19 P33261 2/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPN P05981 1/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD1 P21728 1/20 0.53

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
SCHEMBL8963843 0.90 CYP3A4 (0.54) CYP3A4DRD2DRD4DRD3ADORA3
SCHEMBL8963974 0.89 DRD3 (0.59) CYP3A4DRD2DRD4DRD3ADORA3
SCHEMBL8963644 0.89 DRD3 (0.56) CYP3A4DRD2DRD4DRD3ADORA3
SCHEMBL8963668 0.89 DRD2 (0.64) CYP3A4DRD2DRD4DRD3ADORA3
SCHEMBL8964126 0.87 CTSS (0.52) CYP3A4DRD2DRD4DRD3ADORA3
SCHEMBL8964163 0.86 DRD2 (0.51) CYP3A4DRD2DRD4DRD3ADORA3
SCHEMBL8963551 0.86 DRD2 (0.51) CYP3A4DRD2DRD4DRD3ADORA3
SCHEMBL9424741 0.86 DRD3 (0.55) CYP3A4DRD2DRD4DRD3ADORA3
SCHEMBL8963786 0.85 DRD2 (0.50) CYP3A4DRD2DRD4DRD3ADORA3
Lifarizine SCHEMBL676318 0.84 DRD2 (0.57) CYP3A4DRD2DRD4DRD3ADORA3

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