SCHEMBL29028780

SCHEMBL29028780

O=C(O)c1cc(C2CC2)c(COCC2(F)CCNCC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.42
NR1H4 Q96RI1 2/20 0.34
SCN5A Q14524 3/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN7A Q01118 1/20 0.33

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
SCHEMBL29028739 0.89 SCN9A (0.43) SCN9ASCN5ASCN7A
SCHEMBL20868179 0.89 SCN9A (0.40) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL20868027 0.84 SCN9A (0.58) SCN9ASCN5ASCN7A
Hydrochloric Acid SCHEMBL29028749 0.83 SCN9A (0.58) SCN9ASCN5ASCN7A
SCHEMBL18243763 0.82 SCN9A (0.53) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL20868188 0.82 SCN9A (0.40) SCN9ANR1H4SCN5A
Hydrochloric Acid SCHEMBL18263271 0.81 SCN9A (0.52) SCN9ASCN5ASCN1ASCN2ASCN8A
Hydrochloric Acid SCHEMBL17423323 0.81 SCN9A (0.52) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL20868383 0.80 DPP4 (0.42) SCN9ANR1H4
SCHEMBL20868562 0.78 SCN9A (0.44) SCN9ASCN5ASCN7A

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
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
CN-111212830-A N- (substituted sulfonyl) benzamide derivative and preparation method and medical application thereof 浙江海正药业股份有限公司 2020-05-29 CN disclosed