SCHEMBL23614019

SCHEMBL23614019

N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(I)cc3)C[C@@]2(O)CO)cc1F

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.83
CYP3A4 P08684 2/20 0.60
KCNH2 Q12809 2/20 0.60

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
SCHEMBL21144194 1.00 TRPV4 (0.83) TRPV4CYP3A4KCNH2
SCHEMBL20007685 0.94 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL21144304 0.92 TRPV4 (0.85) TRPV4CYP3A4KCNH2
SCHEMBL20007264 0.91 TRPV4 (0.83) TRPV4CYP3A4KCNH2
SCHEMBL19995338 0.91 TRPV4 (0.83) TRPV4CYP3A4KCNH2
SCHEMBL23613904 0.91 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL21172105 0.91 TRPV4 (0.83) TRPV4CYP3A4KCNH2
SCHEMBL21144209 0.91 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL21144480 0.89 TRPV4 (0.81) TRPV4CYP3A4KCNH2
SCHEMBL22344214 0.89 TRPV4 (0.81) 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