SCHEMBL20007785

SCHEMBL20007785

N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(I)cc3Cl)C[C@@]2(O)CO)cc1F

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.84
CYP3A4 P08684 2/20 0.74
KCNH2 Q12809 2/20 0.74

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
SCHEMBL21144326 1.00 TRPV4 (0.84) TRPV4CYP3A4KCNH2
SCHEMBL21144266 0.92 TRPV4 (0.79) TRPV4CYP3A4KCNH2
SCHEMBL20007443 0.92 TRPV4 (0.79) TRPV4CYP3A4KCNH2
SCHEMBL21144244 0.92 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL20007517 0.92 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL21144493 0.92 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL21144333 0.91 TRPV4 (0.86) TRPV4CYP3A4KCNH2
SCHEMBL19995424 0.91 TRPV4 (0.86) TRPV4CYP3A4KCNH2
SCHEMBL20007284 0.91 TRPV4 (0.86) TRPV4CYP3A4KCNH2
SCHEMBL29354042 0.91 TRPV4 (0.86) 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