SCHEMBL20007803

SCHEMBL20007803

CC(C)COc1cc(C#N)c(F)cc1OC1CN(S(=O)(=O)c2ccc(C#N)cc2)C[C@@]1(O)CO

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.59

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
SCHEMBL21144474 1.00 TRPV4 (0.59) TRPV4
SCHEMBL19995292 0.92 TRPV4 (0.70) TRPV4
SCHEMBL20007756 0.92 TRPV4 (0.70) TRPV4
SCHEMBL29355877 0.90 TRPV4 (0.63) TRPV4
SCHEMBL21144408 0.90 TRPV4 (0.63) TRPV4
SCHEMBL20007805 0.90 TRPV4 (0.63) TRPV4
SCHEMBL19995383 0.89 TRPV4 (0.73) TRPV4
SCHEMBL20007452 0.88 TRPV4 (0.64) TRPV4
SCHEMBL19995308 0.88 TRPV4 (0.64) TRPV4
SCHEMBL23607291 0.88 TRPV4 (0.60) 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