SCHEMBL8964060

SCHEMBL8964060

COc1ccc(-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.45
CACNA2D1 P54289 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1C Q13936 2/20 0.44
CACNA1G O43497 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL8963729 0.92 DRD2 (0.46) DRD2DRD4DRD3MAPTCYP3A4
SCHEMBL8963668 0.90 DRD2 (0.64) DRD2DRD4DRD3MAPTCYP3A4
Lifarizine SCHEMBL676318 0.89 DRD2 (0.57) DRD2DRD4DRD3MAPTCYP3A4
SCHEMBL8963551 0.89 DRD2 (0.51) DRD2DRD4DRD3MAPTCYP3A4
Lifarizine SCHEMBL8963776 0.88 DRD2 (0.56) DRD2DRD4DRD3MAPTCYP3A4
SCHEMBL8963644 0.88 DRD3 (0.56) DRD2DRD4DRD3CYP3A4CYP2C9
SCHEMBL9424936 0.87 MAPT (0.53) DRD2DRD4DRD3MAPTCYP3A4
SCHEMBL8963520 0.86 DRD2 (0.45) DRD2DRD4DRD3MAPTCYP3A4
SCHEMBL8963465 0.85 LMNA (0.57) DRD2DRD4DRD3CYP3A4CYP2C9
SCHEMBL8963659 0.85 MAPT (0.52) DRD2DRD4DRD3MAPTCYP3A4

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