SCHEMBL20007459

SCHEMBL20007459

C[C@H](O)[C@]1(O)CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1Oc1ccc(C#N)c(F)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.75
KCNH2 Q12809 2/20 0.73
CYP3A4 P08684 1/20 0.73
TRPM8 Q7Z2W7 1/20 0.61

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
SCHEMBL21144486 1.00 TRPV4 (0.75) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144484 1.00 TRPV4 (0.75) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144404 0.94 TRPV4 (0.66) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144403 0.94 TRPV4 (0.66) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144392 0.93 TRPV4 (0.64) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144393 0.93 TRPV4 (0.64) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007461 0.93 TRPV4 (0.64) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144253 0.88 TRPV4 (0.61) TRPV4KCNH2CYP3A4
SCHEMBL21144255 0.88 TRPV4 (0.61) TRPV4KCNH2CYP3A4
SCHEMBL21144237 0.87 TRPV4 (0.59) TRPV4KCNH2CYP3A4

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