SCHEMBL31440796

SCHEMBL31440796

Cc1cc(F)ccc1Oc1cnc(C(F)(F)F)c(C)c1N

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.43
▸ SLC22A12 Q96S37 1/20 0.36
▸ TRPA1 O75762 3/20 0.36
▸ SCN8A Q9UQD0 4/20 0.35
▸ SCN10A Q9Y5Y9 4/20 0.35
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34

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
SCHEMBL26615833 1.00 SLC6A4 (0.43) SLC6A4SLC22A12TRPA1SCN8ASCN10A
SCHEMBL26615972 0.84 SLC6A4 (0.43) SLC6A4SLC22A12SCN8ASCN10ANPBWR1
SCHEMBL26615775 0.82 — —
SCHEMBL30631519 0.82 — —
SCHEMBL26615813 0.80 SLC6A4 (0.40) SLC6A4SCN8ASCN10A
SCHEMBL30631429 0.80 SLC6A4 (0.40) SLC6A4SCN8ASCN10A
SCHEMBL26615893 0.78 SLC6A4 (0.41) SLC6A4SCN8ASCN10A
SCHEMBL30631461 0.78 SLC6A4 (0.41) SLC6A4SCN8ASCN10A
SCHEMBL31440799 0.78 SLC6A4 (0.44) SLC6A4SLC22A12SCN8ASCN10ANPBWR1
SCHEMBL30593213 0.77 SCN10A (0.37) SLC22A12SCN10A

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-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 — — CN disclosed
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