SCHEMBL20007792

SCHEMBL20007792

C[C@H](O)[C@]1(O)CN(S(=O)(=O)c2ccc(Cl)cn2)CC1Oc1ccc(C#N)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.76
KCNH2 Q12809 3/20 0.74
CYP3A4 P08684 2/20 0.74
TRPM8 Q7Z2W7 1/20 0.45

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
SCHEMBL20007329 1.00 TRPV4 (0.76) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL30266389 1.00 TRPV4 (0.76) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144359 1.00 TRPV4 (0.76) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL30266431 1.00 TRPV4 (0.76) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL29354341 1.00 TRPV4 (0.76) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21171978 1.00 TRPV4 (0.76) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007731 0.93 TRPV4 (0.75) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21802345 0.93 TRPV4 (0.75) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL19995353 0.93 TRPV4 (0.75) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL19995354 0.93 TRPV4 (0.75) TRPV4KCNH2CYP3A4TRPM8

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