SCHEMBL12337486

SCHEMBL12337486

Bc1cc2c(C(=O)OC)c(-c3ccc(F)cc3)oc2cc1N(C)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 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
SCHEMBL12337749 0.88 CACNA1C (0.55) CACNA1C
SCHEMBL2402089 0.88 CACNA1C (0.44) CACNA1C
SCHEMBL14764738 0.82 CACNA1C (0.42) CACNA1C
SCHEMBL2294830 0.78 CYP2C9 (0.40)
SCHEMBL2842697 0.78 CACNA1C (0.54) CACNA1C
SCHEMBL12318486 0.78 CACNA1C (0.52) CACNA1C
SCHEMBL2302059 0.78 CYP2C9 (0.56)
SCHEMBL2401905 0.78 MEN1 (0.52)
SCHEMBL14773312 0.77 CACNA1C (0.56) CACNA1C
SCHEMBL2840208 0.77 CACNA1C (0.56) CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011106929-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed