SCHEMBL20007454

SCHEMBL20007454

N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(I)cn3)C[C@@]2(O)CN)cc1F

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.82
KCNH2 Q12809 5/20 0.82
CYP3A4 P08684 4/20 0.82
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL19995382 1.00 TRPV4 (0.82) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL29355181 1.00 TRPV4 (0.82) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007272 0.94 TRPV4 (0.82) TRPV4KCNH2CYP3A4
SCHEMBL21144388 0.94 TRPV4 (0.82) TRPV4KCNH2CYP3A4
SCHEMBL21144247 0.92 TRPV4 (0.85) TRPV4KCNH2CYP3A4
SCHEMBL20007585 0.92 TRPV4 (0.85) TRPV4KCNH2CYP3A4
SCHEMBL20007450 0.91 TRPV4 (0.84) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL30266300 0.91 TRPV4 (0.84) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL19995625 0.91 TRPV4 (0.84) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007725 0.90 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8

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
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed