SCHEMBL20007548

SCHEMBL20007548

N#Cc1ccc(OC2CN(S(=O)(=O)c3ccccc3C#N)CC2CO)cc1F

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 19/20 0.74
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL20007456 0.88 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL20007455 0.85 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL21144426 0.79 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL20007771 0.79 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL21144281 0.79 TRPV4 (1.00) TRPV4CYP3A4KCNH2
SCHEMBL20007707 0.78 TRPV4 (0.70) TRPV4CYP3A4KCNH2
SCHEMBL20007709 0.77 TRPV4 (0.59) TRPV4
SCHEMBL23613983 0.76 TRPV4 (0.61) TRPV4KCNH2
SCHEMBL23613872 0.75 TRPV4 (0.76) TRPV4
SCHEMBL21144417 0.75 TRPV4 (0.90) TRPV4CYP3A4KCNH2

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