SCHEMBL20007251

SCHEMBL20007251

C=C1CN([S+]([O-])c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1Oc1ccc(C#N)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 16/20 0.42
TRPC3 Q13507 1/20 0.33
TRPC6 Q9Y210 1/20 0.33
ACACB O00763 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL23614041 0.89 TRPV4 (0.41) TRPV4TRPC3TRPC6ACACB
SCHEMBL23613934 0.88 TRPV4 (0.37) TRPV4ACACB
SCHEMBL23613876 0.85 TRPV4 (0.33) TRPV4ACACB
SCHEMBL23614073 0.83 TRPV4 (0.32) TRPV4
SCHEMBL23613864 0.81 ACACB (0.34) TRPV4ACACB
SCHEMBL23613994 0.79 TRPV4 (0.42) TRPV4TRPC3TRPC6ACACB
SCHEMBL20007555 0.78 TRPV4 (0.48) TRPV4ACACB
SCHEMBL20007648 0.77 TRPV4 (0.64) TRPV4
SCHEMBL22344219 0.76 TRPV4 (0.63) TRPV4
SCHEMBL21172216 0.76 TRPV4 (0.63) 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 2 patents. 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
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed