SCHEMBL20007808

SCHEMBL20007808

C[C@@H](O)C1(O)CN([S+]([O-])c2ccc(C(F)(F)F)nc2)C[C@@H]1Oc1ccc(C#N)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 16/20 0.53
CYP3A4 P08684 2/20 0.39
KCNH2 Q12809 2/20 0.39
AR P10275 4/20 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
SCHEMBL20007330 0.82 TRPV4 (0.52) TRPV4CYP3A4KCNH2
SCHEMBL20007807 0.82 TRPV4 (0.76) TRPV4CYP3A4KCNH2
SCHEMBL21144325 0.82 TRPV4 (0.76) TRPV4CYP3A4KCNH2
SCHEMBL23614068 0.80 TRPV4 (0.41) TRPV4CYP3A4KCNH2AR
SCHEMBL23614045 0.79 TRPV4 (0.49) TRPV4CYP3A4KCNH2
SCHEMBL23614058 0.75 TRPV4 (0.52) TRPV4CYP3A4KCNH2
SCHEMBL23613928 0.74 TRPV4 (0.52) TRPV4CYP3A4KCNH2
SCHEMBL21144094 0.73 TRPV4 (0.63) TRPV4CYP3A4KCNH2
SCHEMBL21144092 0.73 TRPV4 (0.63) TRPV4CYP3A4KCNH2
SCHEMBL20007458 0.73 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 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