SCHEMBL31055662

SCHEMBL31055662

COC(=O)c1cc(F)cc(-c2cnc(OC)c(Cl)c2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.48
▸ SCN5A Q14524 3/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ SCN4A P35499 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.44

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
SCHEMBL25234821 1.00 SCN9A (0.48) SCN9ASCN5AABCB11CYP2C9SCN1A
SCHEMBL25276617 0.81 PRKAG1 (0.46) —
SCHEMBL31055692 0.81 PRKAG1 (0.46) —
SCHEMBL25281510 0.76 CNR1 (0.43) SCN9A
SCHEMBL1891278 0.72 OPRK1 (0.46) SCN9A
SCHEMBL16659027 0.72 SCN9A (0.55) SCN9ASCN5A
SCHEMBL23835458 0.70 GAA (0.41) —
SCHEMBL30464600 0.70 SOS1 (0.43) —
SCHEMBL25280246 0.70 SOS1 (0.43) —
SCHEMBL30464605 0.70 SOS1 (0.43) —

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
CN-118488953-A Bicyclic heterocyclic compounds useful as monoacylglycerol lipase inhibitors 豪夫迈·罗氏有限公司 2024-08-13 — — CN disclosed
Send feedback