SCHEMBL20007985

SCHEMBL20007985

N#Cc1ccc(C[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2CO)cc1F

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.70
KCNH2 Q12809 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54

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
SCHEMBL20007455 0.83 TRPV4 (1.00) TRPV4KCNH2TRPM8
SCHEMBL19995191 0.81 TRPV4 (1.00) TRPV4KCNH2
SCHEMBL30417062 0.81 TRPV4 (1.00) TRPV4KCNH2
SCHEMBL19994746 0.81 TRPV4 (1.00) TRPV4KCNH2
SCHEMBL30417394 0.81 TRPV4 (1.00) TRPV4KCNH2
SCHEMBL20007994 0.81 TRPV4 (1.00) TRPV4KCNH2
SCHEMBL19994756 0.81 TRPV4 (1.00) TRPV4KCNH2
SCHEMBL19995212 0.80 TRPV4 (0.62) TRPV4KCNH2TRPM8
SCHEMBL23424605 0.76 TRPV4 (0.76) TRPV4KCNH2TRPM8
SCHEMBL19994732 0.73 TRPV4 (1.00) TRPV4

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-2018055527-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed