SCHEMBL7749181

SCHEMBL7749181

CC1=C(C(=O)NCCC(c2ccccc2)c2ccccc2)C(c2cccc(Cl)c2)C(C(=O)O)=C(CNCCc2ccccn2)N1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.49
EPHX2 P34913 1/20 0.41
CASR P41180 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F2 P00734 1/20 0.37
KCNA5 P22460 1/20 0.36

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
SCHEMBL7531577 0.88 CACNA1B (0.51) CACNA1BEPHX2CASR
SCHEMBL6927489 0.85 CACNA1B (0.53) CACNA1BEPHX2
SCHEMBL4495941 0.82 CACNA1B (0.69) CACNA1BEPHX2CASR
SCHEMBL6930278 0.80 CACNA1B (0.49) CACNA1BEPHX2KCNA5
SCHEMBL6931175 0.77 CACNA1B (0.51) CACNA1BEPHX2
SCHEMBL6931116 0.75 CACNA1B (0.58) CACNA1BCASR
SCHEMBL4502482 0.75 CACNA1B (0.59) CACNA1B
SCHEMBL4510068 0.75 CACNA1B (0.59) CACNA1BCASR
SCHEMBL7527590 0.75 CACNA1B (0.68) CACNA1B
SCHEMBL6929492 0.72 CACNA1B (0.55) CACNA1BCASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610717-B2 Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease AJINOMOTO CO., INC. (JP) 2003-08-26 US disclosed
US-6610717-B2 Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease AJINOMOTO CO., INC. (JP) 2003-08-26 US disclosed