SCHEMBL20007784

SCHEMBL20007784

N#Cc1cc(OCC(F)(F)F)c(O[C@H]2CN([S+]([O-])c3ccc(Cl)cn3)CC2CO)cc1F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 10/20 0.38
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
POLQ O75417 3/20 0.31
RET P07949 1/20 0.31
AR P10275 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
SCHEMBL20007305 0.82 TRPV4 (0.34) TRPV4CYP3A4KCNH2
SCHEMBL23614002 0.75 TRPV4 (0.48) TRPV4CYP3A4KCNH2
SCHEMBL20007714 0.69 TRPV4 (0.35) TRPV4CYP3A4KCNH2
SCHEMBL20007269 0.69 TRPV4 (0.34) TRPV4CYP3A4KCNH2
SCHEMBL23613928 0.69 TRPV4 (0.52) TRPV4CYP3A4KCNH2
SCHEMBL20007783 0.69 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL29354702 0.69 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL21144223 0.69 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL20007646 0.69 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL20007246 0.68 TRPV4 (0.65) 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