SCHEMBL20007314

SCHEMBL20007314

Cc1ccc(S(=O)(=O)N2C[C@H](Oc3ccc(C#N)c(F)c3)C(O)(CO)C2)c(C#N)c1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.79
CYP3A4 P08684 2/20 0.65
KCNH2 Q12809 2/20 0.65

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
SCHEMBL20007312 1.00 TRPV4 (0.79) TRPV4CYP3A4KCNH2
SCHEMBL30266567 1.00 TRPV4 (0.79) TRPV4CYP3A4KCNH2
SCHEMBL20007509 0.92 TRPV4 (0.84) TRPV4CYP3A4KCNH2
SCHEMBL21144477 0.92 TRPV4 (0.84) TRPV4CYP3A4KCNH2
SCHEMBL19995428 0.91 TRPV4 (0.79) TRPV4CYP3A4KCNH2
SCHEMBL29355552 0.91 TRPV4 (0.79) TRPV4CYP3A4KCNH2
SCHEMBL20007285 0.91 TRPV4 (0.82) TRPV4CYP3A4KCNH2
SCHEMBL21144413 0.91 TRPV4 (0.82) TRPV4CYP3A4KCNH2
SCHEMBL20007573 0.90 TRPV4 (0.77) TRPV4CYP3A4KCNH2
SCHEMBL19995371 0.90 TRPV4 (0.77) 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
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed