SCHEMBL23613873

SCHEMBL23613873

N#Cc1ccc(O[C@H]2CN([S+]([O-])c3ccc(C(F)(F)F)cc3C#N)CC2(O)CO)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.48

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
SCHEMBL23613913 0.92 TRPV4 (0.44) TRPV4
SCHEMBL23613868 0.92 TRPV4 (0.44) TRPV4
SCHEMBL23613822 0.91 TRPV4 (0.45) TRPV4
SCHEMBL23613946 0.90 TRPV4 (0.51) TRPV4
SCHEMBL23613978 0.89 TRPV4 (0.48) TRPV4
SCHEMBL23613869 0.89 TRPV4 (0.42) TRPV4
SCHEMBL23613963 0.89 TRPV4 (0.49) TRPV4
SCHEMBL23613959 0.88 TRPV4 (0.41) TRPV4
SCHEMBL23614071 0.86 TRPV4 (0.40) TRPV4
SCHEMBL20007648 0.86 TRPV4 (0.64) 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
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed