SCHEMBL23613876

SCHEMBL23613876

C=C1CN([S+]([O-])c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1Oc1cc(F)c(C#N)cc1O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.33
ACACB O00763 1/20 0.30

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
SCHEMBL23614073 0.87 TRPV4 (0.32) TRPV4
SCHEMBL23613864 0.87 ACACB (0.34) TRPV4ACACB
SCHEMBL20007251 0.85 TRPV4 (0.42) TRPV4ACACB
SCHEMBL23613934 0.80 TRPV4 (0.37) TRPV4ACACB
SCHEMBL30266555 0.78 TRPV4 (0.50) TRPV4
SCHEMBL20007559 0.78 TRPV4 (0.50) TRPV4
SCHEMBL23614041 0.74 TRPV4 (0.41) TRPV4ACACB
SCHEMBL23613946 0.71 TRPV4 (0.51) TRPV4
SCHEMBL20007305 0.69 TRPV4 (0.34) TRPV4
SCHEMBL20007435 0.69 P2RX3 (0.33)

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