SCHEMBL26107318

SCHEMBL26107318

O=CC(F)=CN1CCC(c2ncccc2Oc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.37
▸ LIPE Q05469 1/20 0.36
▸ SCN10A Q9Y5Y9 3/20 0.35
▸ CHRM4 P08173 2/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ TRPC6 Q9Y210 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
SCHEMBL26107399 0.87 SCN9A (0.38) SCN9ALIPESCN10A
SCHEMBL26107166 0.85 PDE10A (0.41) —
SCHEMBL26105097 0.85 CHRM4 (0.35) SCN9ALIPECHRM4TRPV1TRPC6
SCHEMBL26106268 0.81 SCN9A (0.39) SCN9ALIPESCN10A
SCHEMBL26103613 0.81 SCN9A (0.39) SCN9ALIPESCN10A
SCHEMBL30591858 0.80 SCN9A (0.41) SCN9ALIPESCN10ACHRM4TRPV1
SCHEMBL26106644 0.80 LIPE (0.42) SCN9ALIPECHRM4TRPV1TRPC6
SCHEMBL26107684 0.78 SCN9A (0.37) SCN9ALIPESCN10A
SCHEMBL26105746 0.77 PDE10A (0.38) SCN9ALIPESCN10A
SCHEMBL31474518 0.77 SLC6A2 (0.47) SCN9ASCN10A

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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