SCHEMBL7656396

SCHEMBL7656396

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

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.59

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
SCHEMBL5855026 0.91 CACNA1B (0.70) CACNA1B
SCHEMBL7669481 0.90 CACNA1B (0.56) CACNA1B
SCHEMBL5855031 0.89 CACNA1B (0.63) CACNA1B
SCHEMBL7529587 0.89 CACNA1B (0.70) CACNA1B
SCHEMBL4489450 0.88 CACNA1B (0.55) CACNA1B
SCHEMBL5856328 0.88 CACNA1B (0.69) CACNA1B
SCHEMBL5856332 0.88 CACNA1B (0.69) CACNA1B
SCHEMBL27541926 0.87 CACNA1B (0.59) CACNA1B
SCHEMBL6924144 0.86 CACNA1B (0.55) CACNA1B
SCHEMBL7527515 0.85 CACNA1B (0.68) 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