SCHEMBL20007236

SCHEMBL20007236

C#Cc1ccc([S+]([O-])N2C[C@H](Oc3ccc(C#N)c(F)c3)C(O)(CO)C2)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.52
CYP3A4 P08684 2/20 0.42
KCNH2 Q12809 2/20 0.42

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
SCHEMBL23614064 0.88 TRPV4 (0.53) TRPV4CYP3A4KCNH2
SCHEMBL20007648 0.86 TRPV4 (0.64) TRPV4CYP3A4KCNH2
SCHEMBL23613955 0.82 TRPV4 (0.55) TRPV4CYP3A4KCNH2
SCHEMBL20007578 0.81 TRPV4 (0.61) TRPV4CYP3A4KCNH2
SCHEMBL23613855 0.81 TRPV4 (0.57) TRPV4CYP3A4KCNH2
SCHEMBL23614039 0.80 TRPV4 (0.56) TRPV4CYP3A4KCNH2
SCHEMBL23613949 0.79 TRPV4 (0.55) TRPV4
SCHEMBL23613839 0.79 TRPV4 (0.57) TRPV4CYP3A4KCNH2
SCHEMBL20007249 0.78 TRPV4 (0.77) TRPV4CYP3A4KCNH2
SCHEMBL20007246 0.78 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