SCHEMBL29028643

SCHEMBL29028643

COC(=O)c1cc(C2CC2)c(OCC2(F)CCNCC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.53
SCN5A Q14524 4/20 0.49
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN8A Q9UQD0 2/20 0.49
CYP2C9 P11712 1/20 0.48
SCN7A Q01118 1/20 0.48

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
SCHEMBL29028737 0.90 SCN9A (0.53) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL18243861 0.89 SCN9A (0.49) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL16770874 0.89 SCN9A (0.59) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL16770869 0.89 SCN9A (0.49) SCN9ASCN5ASCN1ASCN2ASCN8A
Hydrochloric Acid SCHEMBL16759408 0.88 SCN9A (0.58) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL18243755 0.88 SCN9A (0.48) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL18243763 0.88 SCN9A (0.53) SCN9ASCN5ASCN1ASCN2ASCN8A
Hydrochloric Acid SCHEMBL16758826 0.88 SCN9A (0.48) SCN9ASCN5ASCN1ASCN2ASCN8A
Hydrochloric Acid SCHEMBL18263271 0.87 SCN9A (0.52) SCN9ASCN5ASCN1ASCN2ASCN8A
Hydrochloric Acid SCHEMBL17423323 0.87 SCN9A (0.52) SCN9ASCN5ASCN1ASCN2ASCN8A

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-111212830-B N- (substituted sulfonyl) benzamide derivative and preparation method and medical application thereof 浙江海正药业股份有限公司 2023-07-04 CN disclosed