SCHEMBL20007269

SCHEMBL20007269

C=C1CN([S+]([O-])c2ccc(Cl)cn2)C[C@@H]1Oc1cc(F)c(C#N)cc1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
S1PR3 Q99500 6/20 0.32
S1PR1 P21453 2/20 0.32
S1PR4 O95977 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
SCHEMBL20007714 0.87 TRPV4 (0.35) TRPV4CYP3A4KCNH2
SCHEMBL20007305 0.85 TRPV4 (0.34) TRPV4CYP3A4KCNH2
SCHEMBL20007266 0.81 TRPV4 (0.48) TRPV4CYP3A4KCNH2
SCHEMBL23613864 0.79 ACACB (0.34) TRPV4
SCHEMBL23614022 0.73 TRPV4 (0.43) TRPV4CYP3A4KCNH2S1PR3
SCHEMBL20007809 0.70 TRPV4 (0.42) TRPV4CYP3A4KCNH2S1PR3
SCHEMBL23613977 0.69 TRPV4 (0.49) TRPV4CYP3A4KCNH2
SCHEMBL20007784 0.69 TRPV4 (0.38) TRPV4CYP3A4KCNH2
SCHEMBL20007702 0.69 TRPV4 (0.54) TRPV4CYP3A4KCNH2S1PR3
SCHEMBL19995355 0.68 TRPV4 (0.51) TRPV4CYP3A4KCNH2

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