SCHEMBL20007714

SCHEMBL20007714

C=C1CN([S+]([O-])c2ccc(Cl)cn2)C[C@@H]1Oc1cc(F)c(C#N)cc1O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.35
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL20007269 0.87 TRPV4 (0.34) TRPV4CYP3A4KCNH2
SCHEMBL19995357 0.78 TRPV4 (0.51) TRPV4CYP3A4KCNH2
SCHEMBL19995355 0.78 TRPV4 (0.51) TRPV4CYP3A4KCNH2
SCHEMBL23613876 0.77 TRPV4 (0.33) TRPV4
SCHEMBL23614022 0.75 TRPV4 (0.43) TRPV4CYP3A4KCNH2
SCHEMBL20007809 0.72 TRPV4 (0.42) TRPV4CYP3A4KCNH2
SCHEMBL20007784 0.69 TRPV4 (0.38) TRPV4CYP3A4KCNH2
SCHEMBL20007246 0.68 TRPV4 (0.65) TRPV4CYP3A4KCNH2
SCHEMBL20007587 0.67 TRPV4 (0.57) TRPV4CYP3A4KCNH2
SCHEMBL23614073 0.67 TRPV4 (0.32) 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