SCHEMBL20007691

SCHEMBL20007691

COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@](O)(CO)C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RBP1 P09455 1/20 0.53
TRPV4 Q9HBA0 16/20 0.52
TRPM8 Q7Z2W7 1/20 0.48
BRPF1 P55201 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL20003515 0.86 TRPV4 (0.52) RBP1TRPV4TRPM8
SCHEMBL23176188 0.85 TRPV4 (0.55) RBP1TRPV4TRPM8
SCHEMBL20003510 0.84 TRPV4 (0.61) TRPV4TRPM8
SCHEMBL20003561 0.84 TRPV4 (0.55) TRPV4TRPM8
SCHEMBL23614016 0.84 TRPV4 (0.55) TRPV4TRPM8
SCHEMBL23176371 0.84 TRPV4 (0.55) TRPV4TRPM8
SCHEMBL20003513 0.84 TRPV4 (0.61) TRPV4TRPM8
SCHEMBL23613909 0.74 OPRM1 (0.37) RBP1TRPV4
SCHEMBL20003580 0.74 TRPV4 (0.61) TRPV4TRPM8
SCHEMBL20007697 0.74 TRPV4 (0.52) RBP1TRPV4PKM

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