SCHEMBL4201511

SCHEMBL4201511

N#Cc1ccc(O[PH](=O)CNS(=O)(=O)c2cc3cc(OCC[n+]4ccccc4)ccc3s2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.38

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
SCHEMBL4207464 0.87 TRPV4 (0.37) TRPV4
SCHEMBL4213331 0.82 TRPV4 (0.35) TRPV4
SCHEMBL3483940 0.79 TRPV4 (0.35) TRPV4
SCHEMBL13031876 0.74 TRPV4 (0.36) TRPV4
SCHEMBL13031904 0.74 TRPV4 (0.33) TRPV4
SCHEMBL13031903 0.74 TRPV4 (0.33) TRPV4
SCHEMBL16667185 0.73 CHRNA7 (0.37)
SCHEMBL14943032 0.73 TRPV4 (0.37) TRPV4
SCHEMBL3485055 0.72 TRPV4 (0.34) TRPV4
SCHEMBL16667188 0.72 CHRNA7 (0.35)

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