SCHEMBL9424936

SCHEMBL9424936

COc1ccc(-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTR7 P34969 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CTSS P25774 1/20 0.42
GUSB P08236 1/20 0.42

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
SCHEMBL8964060 0.87 DRD2 (0.53) MAPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8963551 0.86 DRD2 (0.51) MAPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8963668 0.85 DRD2 (0.64) MAPTDRD2DRD4DRD3LMNA
SCHEMBL8963754 0.85 MAPT (0.53) MAPTDRD2DRD4DRD3ALDH1A1
Lifarizine SCHEMBL676318 0.84 DRD2 (0.57) MAPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8963843 0.84 CYP3A4 (0.54) MAPTDRD2DRD4DRD3LMNA
SCHEMBL8963644 0.83 DRD3 (0.56) DRD2DRD4DRD3ALDH1A1LMNA
Lifarizine SCHEMBL8963776 0.83 DRD2 (0.56) MAPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8963659 0.83 MAPT (0.52) MAPTDRD2DRD4DRD3ALDH1A1
SCHEMBL8963779 0.82 CYP3A4 (0.53) DRD2DRD4DRD3LMNAGAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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