SCHEMBL3942969

SCHEMBL3942969

N#Cc1ccc(OP(=O)([O-])CNS(=O)(=O)c2cc3cc(CS(=O)(=O)CCC[n+]4ccccc4)ccc3s2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 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
SCHEMBL3942507 0.93 TRPV4 (0.32) TRPV4
SCHEMBL13032349 0.92 TRPV4 (0.32) TRPV4
SCHEMBL3483265 0.82
SCHEMBL13032348 0.81 CA2 (0.34) TRPV4
SCHEMBL3483950 0.80 CA2 (0.34)
SCHEMBL3483260 0.79
SCHEMBL3483679 0.78 CA2 (0.35)
SCHEMBL4213331 0.76 TRPV4 (0.35) TRPV4
SCHEMBL14942521 0.73 TRPV4 (0.35) TRPV4
SCHEMBL13031903 0.72 TRPV4 (0.33) 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 claimed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 WO claimed