SCHEMBL26107789

SCHEMBL26107789

O=CC=CN1CCC(c2nccnc2Oc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ LIPE Q05469 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 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
SCHEMBL26106392 0.88 SCN9A (0.36) SCN9ALIPE
SCHEMBL26105526 0.87 PDE10A (0.33) PDE10A
SCHEMBL26105097 0.86 CHRM4 (0.35) SCN9ALIPEALOX5APFEN1
SCHEMBL26105935 0.86 HTR1A (0.41) PDE10A
SCHEMBL26107399 0.84 SCN9A (0.38) SCN9APDE10ALIPE
SCHEMBL26105746 0.84 PDE10A (0.38) SCN9APDE10ALIPE
SCHEMBL26112177 0.82 PDE10A (0.37) SCN9APDE10ALIPEALOX5APFEN1
SCHEMBL26108503 0.82 PDE10A (0.37) SCN9APDE10A
SCHEMBL31474452 0.81 PDE10A (0.41) SCN9APDE10ALIPE
SCHEMBL26106343 0.81 SCN9A (0.35) SCN9APDE10ALIPEALOX5APFEN1

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