SCHEMBL7656853

SCHEMBL7656853

CC1=C(C(=O)NCCCCc2ccccc2)C(c2cccc(Cl)c2)C(C(=O)OCCC#N)=C(C)N1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.53
ADRA1A P35348 1/20 0.49
PDE1C Q14123 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7665052 0.98 CACNA1B (0.53) CACNA1BADRA1APDE1CMEN1MAPT
SCHEMBL7667045 0.95 CACNA1B (0.54) CACNA1BADRA1AMEN1MAPTKMT2A
SCHEMBL5855231 0.92 CACNA1B (0.58) CACNA1B
SCHEMBL7663854 0.91 CACNA1B (0.47) CACNA1BADRA1A
SCHEMBL27541930 0.91 CACNA1B (0.58) CACNA1BPDE1C
SCHEMBL7663100 0.88 CACNA1B (0.54) CACNA1BADRA1A
SCHEMBL4507052 0.87 CACNA1B (0.64) CACNA1BPDE1C
SCHEMBL4496949 0.87 CACNA1B (0.67) CACNA1BADRA1A
SCHEMBL27541957 0.85 CACNA1B (0.55) CACNA1B
SCHEMBL5855031 0.85 CACNA1B (0.63) CACNA1B

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-6350762-B1 SELECTIVELY INHIBIT THE ACTION OF N-TYPE CALCIUM CHANNEL; AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
EP-1043314-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-10-11 EP disclosed