SCHEMBL3941322

SCHEMBL3941322

C[N+](C)=CNCCOc1ccc2sc(S(=O)(=O)NCc3[c]ccc(C#N)c3F)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.31

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
SCHEMBL3483360 0.74 TRPV4 (0.36) TRPV4
SCHEMBL3946559 0.74 CA2 (0.34)
SCHEMBL14943029 0.68 TRPV4 (0.37) TRPV4
SCHEMBL16684156 0.66 TRPV4 (0.34) TRPV4
SCHEMBL14943020 0.66 TRPV4 (0.34) TRPV4
SCHEMBL4207464 0.65 TRPV4 (0.37) TRPV4
SCHEMBL14943032 0.65 TRPV4 (0.37) TRPV4
SCHEMBL14931219 0.65 TRPV4 (0.37) TRPV4
SCHEMBL3483772 0.64 TRPV4 (0.36) TRPV4
SCHEMBL4207467 0.64 TRPV4 (0.34) TRPV4

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
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO disclosed