SCHEMBL20007775

SCHEMBL20007775

N#CCc1cccc(OC2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@]2(O)CO)c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.76

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
SCHEMBL19995706 1.00 TRPV4 (0.76) TRPV4
SCHEMBL29355709 1.00 TRPV4 (0.76) TRPV4
SCHEMBL23613924 0.92 TRPV4 (0.78) TRPV4
SCHEMBL21144415 0.92 TRPV4 (0.78) TRPV4
SCHEMBL29355480 0.90 TRPV4 (0.79) TRPV4
SCHEMBL19995403 0.90 TRPV4 (0.79) TRPV4
SCHEMBL19995381 0.89 TRPV4 (0.81) TRPV4
SCHEMBL21144526 0.89 TRPV4 (0.85) TRPV4
SCHEMBL19995453 0.89 TRPV4 (0.85) TRPV4
SCHEMBL23613991 0.88 TRPV4 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed