SCHEMBL7669481

SCHEMBL7669481

CCC1=C(C(=O)OCc2ccccc2)C(c2cccc(Cl)c2)C(C(=O)OCCC#N)=C(C)N1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.56
PDE1C Q14123 2/20 0.51

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
SCHEMBL4507052 0.93 CACNA1B (0.64) CACNA1BPDE1C
SCHEMBL7656396 0.90 CACNA1B (0.59) CACNA1B
SCHEMBL6931087 0.90 CACNA1B (0.53) CACNA1BPDE1C
SCHEMBL4514305 0.90 CACNA1B (0.53) CACNA1BPDE1C
SCHEMBL7529587 0.88 CACNA1B (0.70) CACNA1B
SCHEMBL5856332 0.87 CACNA1B (0.69) CACNA1B
SCHEMBL5856328 0.87 CACNA1B (0.69) CACNA1B
SCHEMBL7663854 0.87 CACNA1B (0.47) CACNA1B
SCHEMBL7531855 0.86 CACNA1B (0.63) CACNA1BPDE1C
SCHEMBL7532654 0.86 CACNA1B (0.63) CACNA1BPDE1C

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