SCHEMBL8963729

SCHEMBL8963729

COc1ccc(C(c2ccc(OC)cc2)N2CCN(Cc3nc(-c4ccc(C)cc4)[nH]c3C)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSS P25774 8/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
AURKA O14965 1/20 0.39
LMNA P02545 1/20 0.39
CYP19A1 P11511 1/20 0.38
CACNA2D1 P54289 2/20 0.38
CACNA1B Q00975 2/20 0.38
CACNB1 Q02641 2/20 0.38
CACNA1C Q13936 2/20 0.38
CACNA1G O43497 1/20 0.38

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
SCHEMBL8964084 0.92 DRD2 (0.52) DRD2DRD4DRD3CYP3A4CYP2C9
SCHEMBL8964060 0.92 DRD2 (0.53) DRD2DRD4DRD3CYP3A4CYP2C9
SCHEMBL8963501 0.88 CTSS (0.52) DRD2DRD4DRD3CYP3A4CYP2C9
SCHEMBL8963520 0.88 DRD2 (0.45) DRD2DRD4DRD3CYP3A4CYP2C9
SCHEMBL8963624 0.87 DRD2 (0.47) DRD2DRD4DRD3CYP3A4CYP2C9
Lifarizine SCHEMBL676318 0.87 DRD2 (0.57) DRD2DRD4DRD3CYP3A4CYP2C9
Lifarizine SCHEMBL8963776 0.86 DRD2 (0.56) DRD2DRD4DRD3CYP3A4CYP2C9
SCHEMBL8963810 0.85 LMNA (0.49) DRD2DRD4DRD3CYP3A4CYP2C9
SCHEMBL9424741 0.84 DRD3 (0.55) DRD2DRD4DRD3CYP3A4CYP2C9
SCHEMBL9424561 0.83 DRD2 (0.49) DRD2DRD4DRD3CTSSMAPT

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 11 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
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 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