SCHEMBL26108741

SCHEMBL26108741

C=CC(=O)N1CCC(c2nccnc2Oc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.42
▸ LIPE Q05469 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.40
▸ TEAD1 P28347 4/20 0.39
▸ TRPC6 Q9Y210 1/20 0.39
▸ TEAD3 Q99594 1/20 0.39
▸ FGFR4 P22455 1/20 0.39

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
SCHEMBL30591799 1.00 SCN9A (0.42) SCN9ALIPEPDE10ATEAD1TRPC6
SCHEMBL30591893 0.88 SCN9A (0.43) SCN9ALIPETEAD1TRPC6TEAD3
SCHEMBL26106689 0.88 SCN9A (0.43) SCN9ALIPETEAD1TRPC6TEAD3
SCHEMBL26103340 0.87 TEAD1 (0.39) PDE10ATEAD1TEAD3
SCHEMBL30591679 0.87 TEAD1 (0.39) PDE10ATEAD1TEAD3
SCHEMBL26106644 0.87 LIPE (0.42) SCN9ALIPETEAD1TRPC6TEAD3
SCHEMBL26108993 0.87 PDE10A (0.42) SCN9ALIPEPDE10AFGFR4
SCHEMBL30591823 0.86 SCN9A (0.42) SCN9ALIPEPDE10ATRPC6
SCHEMBL26108593 0.86 SCN9A (0.42) SCN9ALIPEPDE10ATRPC6
SCHEMBL30591842 0.85 SCN9A (0.42) SCN9ALIPEPDE10ATRPC6

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 claimed
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