SCHEMBL23614101

SCHEMBL23614101

N#Cc1ccc(OC[C@H]2CN(S(=O)(=O)c3ccc(C#Cc4ccccc4)cn3)C[C@@]2(O)CO)cc1F

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.60
CYP3A4 P08684 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL23614055 0.92 TRPV4 (0.61) TRPV4CYP3A4KCNH2
SCHEMBL23614026 0.90 TRPV4 (0.63) TRPV4CYP3A4KCNH2
SCHEMBL21144327 0.89 TRPV4 (0.76) TRPV4CYP3A4KCNH2
SCHEMBL23613918 0.85 TRPV4 (0.63) TRPV4CYP3A4KCNH2
SCHEMBL20007673 0.82 TRPV4 (0.64) TRPV4
SCHEMBL23613872 0.82 TRPV4 (0.76) TRPV4
SCHEMBL23614031 0.82 TRPV4 (0.60) TRPV4
SCHEMBL23614065 0.81 TRPV4 (0.66) TRPV4CYP3A4KCNH2
SCHEMBL20007311 0.81 TRPV4 (0.83) TRPV4CYP3A4KCNH2
SCHEMBL30266379 0.81 TRPV4 (0.83) 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
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed