SCHEMBL20007455

SCHEMBL20007455

N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2CO)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 1.00
KCNH2 Q12809 2/20 0.63
CYP3A4 P08684 1/20 0.63
TRPM8 Q7Z2W7 1/20 0.60

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
SCHEMBL20007548 0.85 TRPV4 (0.74) TRPV4KCNH2CYP3A4
SCHEMBL20007456 0.85 TRPV4 (0.73) TRPV4KCNH2CYP3A4
SCHEMBL20007985 0.83 TRPV4 (0.70) TRPV4KCNH2TRPM8
SCHEMBL20007707 0.83 TRPV4 (0.70) TRPV4KCNH2CYP3A4
SCHEMBL23424605 0.81 TRPV4 (0.76) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144244 0.81 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144493 0.81 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007517 0.81 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007290 0.80 TRPV4 (0.67) TRPV4
SCHEMBL20007708 0.79 TRPV4 (0.65) 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