SCHEMBL20007779

SCHEMBL20007779

N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(Cl)cn3)C[C@@]2(O)CO)c(OCC(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.75
CYP3A4 P08684 3/20 0.56
KCNH2 Q12809 3/20 0.56

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
SCHEMBL19995350 1.00 TRPV4 (0.75) TRPV4CYP3A4KCNH2
SCHEMBL21144223 0.88 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL20007646 0.88 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL20007783 0.88 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL29354702 0.88 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL19994742 0.86 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL20007286 0.86 TRPV4 (0.57) TRPV4
SCHEMBL29352506 0.85 TRPV4 (0.59) TRPV4
SCHEMBL21144360 0.85 TRPV4 (0.59) TRPV4
SCHEMBL20007778 0.85 TRPV4 (0.59) 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