SCHEMBL20007725

SCHEMBL20007725

N#Cc1ccc(O[C@H]2CN(S(=O)(=O)c3ccc(Cl)cn3)CC2(O)CN)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 5/20 1.00
CYP3A4 P08684 4/20 1.00
TRPM8 Q7Z2W7 1/20 0.47

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
SCHEMBL30266466 1.00 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007624 1.00 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL30266235 1.00 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL20007723 1.00 TRPV4 (1.00) TRPV4KCNH2CYP3A4TRPM8
Hydrochloric Acid SCHEMBL29355695 0.99 TRPV4 (0.98) TRPV4KCNH2CYP3A4TRPM8
Hydrochloric Acid SCHEMBL29351064 0.99 TRPV4 (0.98) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL29354470 0.96 TRPV4 (0.93) TRPV4KCNH2CYP3A4TRPM8
Water SCHEMBL30266240 0.96 TRPV4 (0.93) TRPV4KCNH2CYP3A4TRPM8
SCHEMBL21144476 0.94 TRPV4 (1.00) TRPV4KCNH2CYP3A4
SCHEMBL20007698 0.94 TRPV4 (1.00) 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