SCHEMBL8963974

SCHEMBL8963974

Cc1[nH]c(-c2ccccc2)nc1CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.59
DRD2 P14416 3/20 0.59
DRD4 P21917 3/20 0.59
KCNH2 Q12809 5/20 0.54
CHRM2 P08172 4/20 0.54
ADRA2A P08913 4/20 0.54
ADRA1A P35348 4/20 0.54
CYP2D6 P10635 4/20 0.54
CYP3A4 P08684 3/20 0.54
HRH1 P35367 3/20 0.54
OPRK1 P41145 3/20 0.54
CHRM1 P11229 3/20 0.54
DRD1 P21728 3/20 0.54
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 3/20 0.54
USP2 O75604 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
CNR1 P21554 2/20 0.54
GHSR Q92847 2/20 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
SCHEMBL8963644 0.96 DRD3 (0.56) DRD3DRD2DRD4KCNH2CHRM2
SCHEMBL9424741 0.94 DRD3 (0.55) DRD3DRD2DRD4KCNH2CHRM2
SCHEMBL8963668 0.93 DRD2 (0.64) DRD3DRD2DRD4KCNH2CHRM2
SCHEMBL8963501 0.91 CTSS (0.52) DRD3DRD2DRD4KCNH2CHRM2
SCHEMBL8963779 0.89 CYP3A4 (0.53) DRD3DRD2DRD4KCNH2CHRM2
Lifarizine SCHEMBL676318 0.88 DRD2 (0.57) DRD3DRD2DRD4KCNH2CHRM2
Lifarizine SCHEMBL8963776 0.87 DRD2 (0.56) DRD3DRD2DRD4KCNH2CHRM2
SCHEMBL8964084 0.86 DRD2 (0.52) DRD3DRD2DRD4KCNH2CHRM2
SCHEMBL8963843 0.85 CYP3A4 (0.54) DRD3DRD2DRD4KCNH2CHRM2
SCHEMBL8963465 0.84 LMNA (0.57) DRD3DRD2DRD4KCNH2CYP3A4

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