SCHEMBL26107684

SCHEMBL26107684

O=CC(F)=CN1CCC(c2cncnc2Oc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ SCN10A Q9Y5Y9 3/20 0.35
▸ LIPE Q05469 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
SCHEMBL26107166 0.87 PDE10A (0.41) PDE10A
SCHEMBL26104202 0.85 SCN9A (0.38) SCN9APDE10AALOX5APFEN1SCN10A
SCHEMBL26112177 0.85 PDE10A (0.37) SCN9APDE10AALOX5APFEN1SCN10A
SCHEMBL26107399 0.83 SCN9A (0.38) SCN9APDE10ASCN10ALIPE
SCHEMBL26106268 0.81 SCN9A (0.39) SCN9ASCN10ALIPE
SCHEMBL26103613 0.81 SCN9A (0.39) SCN9ASCN10ALIPE
SCHEMBL26109504 0.80 SCN9A (0.41) SCN9ASCN10ALIPE
SCHEMBL30591731 0.80 SCN9A (0.41) SCN9ASCN10ALIPE
SCHEMBL30591657 0.80 SCN9A (0.41) SCN9AALOX5APFEN1SCN10ALIPE
SCHEMBL26107706 0.80 SCN9A (0.41) SCN9AALOX5APFEN1SCN10ALIPE

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
WO-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO claimed
WO-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
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