SCHEMBL29948707

SCHEMBL29948707

N#Cc1ccc(OCC2(CO)CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3Br)C2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 20/20 0.54
KCNH2 Q12809 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53

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
SCHEMBL23390424 1.00 TRPV4 (0.54) TRPV4KCNH2TRPM8
SCHEMBL23424502 0.92 TRPV4 (0.61) TRPV4KCNH2TRPM8
SCHEMBL29949017 0.92 TRPV4 (0.61) TRPV4KCNH2TRPM8
SCHEMBL29948780 0.91 TRPV4 (0.56) TRPV4KCNH2TRPM8
SCHEMBL23390573 0.91 TRPV4 (0.56) TRPV4KCNH2TRPM8
SCHEMBL23613933 0.84 TRPV4 (0.56) TRPV4KCNH2
SCHEMBL29948879 0.83 TRPV4 (0.67) TRPV4KCNH2TRPM8
SCHEMBL23424606 0.83 TRPV4 (0.67) TRPV4KCNH2TRPM8
SCHEMBL23424526 0.83 TRPV4 (0.63) TRPV4KCNH2TRPM8
SCHEMBL29948946 0.83 TRPV4 (0.63) TRPV4KCNH2TRPM8

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
EP-4061124-A1 TRPV4 RECEPTOR LIGANDS University of Utah Research Foundation (US) 2022-09-28 EP disclosed