SCHEMBL20007612

SCHEMBL20007612

Cc1cc(C#N)ccc1OC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@]1(O)CO

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.69

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
SCHEMBL21144422 1.00 TRPV4 (0.69) TRPV4
SCHEMBL21144407 0.92 TRPV4 (0.69) TRPV4
SCHEMBL21144423 0.92 TRPV4 (0.69) TRPV4
SCHEMBL29355437 0.92 TRPV4 (0.69) TRPV4
SCHEMBL20007772 0.92 TRPV4 (0.69) TRPV4
SCHEMBL20007696 0.92 TRPV4 (0.69) TRPV4
SCHEMBL21144133 0.91 TRPV4 (0.70) TRPV4
SCHEMBL20007609 0.91 TRPV4 (0.70) TRPV4
SCHEMBL19995325 0.91 TRPV4 (0.70) TRPV4
SCHEMBL20007769 0.91 TRPV4 (0.75) 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