SCHEMBL8963495

SCHEMBL8963495

COc1ccccc1C(c1ccccc1OC)N1CCN(Cc2nc(-c3ccc(C)cc3)[nH]c2C)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSS P25774 12/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL8963847 0.89 DRD2 (0.53) DRD2DRD4DRD3CTSSCYP3A4
SCHEMBL8963984 0.87 DRD2 (0.51) DRD2DRD4DRD3CTSSCYP3A4
SCHEMBL8963517 0.85 DRD2 (0.49) DRD2DRD4DRD3CTSSCYP3A4
Lifarizine SCHEMBL676318 0.84 DRD2 (0.57) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL9720738 0.83 DRD2 (0.57) DRD2DRD4DRD3ALDH1A1MAPT
Lifarizine SCHEMBL8963776 0.83 DRD2 (0.56) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8964084 0.82 DRD2 (0.52) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL8963729 0.82 DRD2 (0.46) DRD2DRD4DRD3CTSSCYP3A4
SCHEMBL8963520 0.81 DRD2 (0.45) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL9720664 0.81 DRD2 (0.62) DRD2DRD4DRD3CTSS

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