SCHEMBL23607291

SCHEMBL23607291

CC(C)COc1cc(C#N)c(F)cc1O[C@H]1CN(S(=O)(=O)c2ccc(C=O)nc2)C[C@@]1(O)CO

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.60
CYP3A4 P08684 2/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL21144408 0.91 TRPV4 (0.63) TRPV4CYP3A4KCNH2
SCHEMBL20007805 0.91 TRPV4 (0.63) TRPV4CYP3A4KCNH2
SCHEMBL29355877 0.91 TRPV4 (0.63) TRPV4CYP3A4KCNH2
SCHEMBL19995383 0.91 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL23607298 0.89 TRPV4 (0.67) TRPV4CYP3A4KCNH2
SCHEMBL20007803 0.88 TRPV4 (0.59) TRPV4
SCHEMBL21144474 0.88 TRPV4 (0.59) TRPV4
SCHEMBL19995292 0.85 TRPV4 (0.70) TRPV4
SCHEMBL20007756 0.85 TRPV4 (0.70) TRPV4
SCHEMBL21144503 0.83 TRPV4 (0.69) TRPV4CYP3A4KCNH2

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
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed