SCHEMBL20003616

SCHEMBL20003616

O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[C@@](O)(CO)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 18/20 0.60
TRPM8 Q7Z2W7 2/20 0.58
KCNH2 Q12809 1/20 0.48
RBP1 P09455 1/20 0.46

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
SCHEMBL20003518 1.00 TRPV4 (0.60) TRPV4TRPM8KCNH2RBP1
SCHEMBL23613871 1.00 TRPV4 (0.60) TRPV4TRPM8KCNH2RBP1
SCHEMBL20003572 0.88 TRPV4 (0.50) TRPV4TRPM8RBP1
SCHEMBL23613838 0.88 TRPV4 (0.50) TRPV4TRPM8RBP1
SCHEMBL20003562 0.88 TRPV4 (0.51) TRPV4TRPM8KCNH2RBP1
SCHEMBL20003557 0.84 TRPV4 (0.59) TRPV4TRPM8KCNH2
SCHEMBL23176162 0.84 PKM (0.54) TRPV4TRPM8RBP1
SCHEMBL20007988 0.84 TRPV4 (0.58) TRPV4
SCHEMBL20003550 0.84 TRPV4 (0.58) TRPV4
SCHEMBL20003513 0.84 TRPV4 (0.61) TRPV4TRPM8

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-2018055526-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed