SCHEMBL20007631

SCHEMBL20007631

N#Cc1ccc(O[C@@H]2COC(=O)NCPCN([S+]([O-])c3ccc(Cl)cc3C#N)C2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.42
KCNH2 Q12809 3/20 0.35
CYP3A4 P08684 2/20 0.35
PDE9A O76083 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL20007574 0.73 TRPV4 (0.55) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007712 0.71 TRPV4 (0.42) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL23614085 0.71 TRPV4 (0.46) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL23614082 0.68 TRPV4 (0.46) TRPV4KCNH2CYP3A4
SCHEMBL23613988 0.68 TRPV4 (0.43) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007578 0.67 TRPV4 (0.61) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL23424715 0.64 TRPV4 (0.51) TRPV4KCNH2TRPM8
SCHEMBL23614045 0.62 TRPV4 (0.49) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007555 0.60 TRPV4 (0.48) TRPV4KCNH2CYP3A4
SCHEMBL23614041 0.60 TRPV4 (0.41) 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-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed