SCHEMBL25952320

SCHEMBL25952320

O=c1ccn(CCCO)c2cc(-c3ccccc3Oc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.44
▸ SCN5A Q14524 3/20 0.44
▸ TRPV1 Q8NER1 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ ASH1L Q9NR48 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ NR3C1 P04150 2/20 0.34
▸ PGR P06401 2/20 0.34
▸ NR3C2 P08235 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ BAD Q92934 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ ICMT O60725 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
SCHEMBL30544057 1.00 SCN9A (0.44) SCN9ASCN5ATRPV1SCN8ASCN10A
SCHEMBL25429484 0.94 SCN8A (0.43) SCN9ASCN5ATRPV1SCN8ASCN10A
SCHEMBL30544026 0.91 TRPV1 (0.39) SCN9ASCN5ATRPV1SCN8ASCN10A
SCHEMBL25428113 0.91 TRPV1 (0.39) SCN9ASCN5ATRPV1SCN8ASCN10A
SCHEMBL25429273 0.88 NOD2 (0.37) SCN9ASCN5ATRPV1SCN8ASCN10A
SCHEMBL25429756 0.87 ICMT (0.39) SCN9ASCN5ATRPV1SCN8ASCN10A
SCHEMBL30544045 0.87 ICMT (0.39) SCN9ASCN5ATRPV1SCN8ASCN10A
SCHEMBL30544047 0.86 SCN9A (0.42) SCN9ASCN5A
SCHEMBL25428450 0.86 SCN9A (0.42) SCN9ASCN5A
SCHEMBL30544106 0.84 PDPK1 (0.40) TRPV1

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
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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