SCHEMBL20007517

SCHEMBL20007517

N#Cc1ccc(OC2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C[C@@]2(O)CO)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 0.87
CYP3A4 P08684 1/20 0.87
TRPM8 Q7Z2W7 1/20 0.66

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
SCHEMBL21144244 1.00 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144493 1.00 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144317 0.94 TRPV4 (0.89) TRPV4KCNH2CYP3A4
SCHEMBL29355512 0.94 TRPV4 (0.89) TRPV4KCNH2CYP3A4
SCHEMBL20007516 0.94 TRPV4 (0.89) TRPV4KCNH2CYP3A4
SCHEMBL23613919 0.94 TRPV4 (0.89) TRPV4KCNH2CYP3A4
SCHEMBL19995359 0.94 TRPV4 (0.89) TRPV4KCNH2CYP3A4
SCHEMBL29354042 0.92 TRPV4 (0.86) TRPV4KCNH2CYP3A4
SCHEMBL20007284 0.92 TRPV4 (0.86) TRPV4KCNH2CYP3A4
SCHEMBL21144333 0.92 TRPV4 (0.86) TRPV4KCNH2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed