SCHEMBL31474452

SCHEMBL31474452

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.41
▸ LIPE Q05469 1/20 0.38
▸ SCN9A Q15858 5/20 0.37
▸ TRPC6 Q9Y210 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL26105746 0.85 PDE10A (0.38) PDE10ALIPESCN9ASCN10A
SCHEMBL26107399 0.85 SCN9A (0.38) PDE10ALIPESCN9ASCN10A
SCHEMBL26107789 0.81 SCN9A (0.35) PDE10ALIPESCN9A
SCHEMBL30591799 0.80 SCN9A (0.42) PDE10ALIPESCN9ATRPC6
SCHEMBL26108741 0.80 SCN9A (0.42) PDE10ALIPESCN9ATRPC6
SCHEMBL30591808 0.80 SCN9A (0.37) PDE10ALIPESCN9ASCN10A
SCHEMBL26104740 0.80 SCN9A (0.37) PDE10ALIPESCN9ASCN10A
SCHEMBL30591823 0.78 SCN9A (0.42) PDE10ALIPESCN9ATRPC6SCN10A
SCHEMBL26108593 0.78 SCN9A (0.42) PDE10ALIPESCN9ATRPC6SCN10A
SCHEMBL30591842 0.77 SCN9A (0.42) PDE10ALIPESCN9ATRPC6SCN10A

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
CN-119403551-A Small molecule inhibitors of TEA domain family members 斯克里普斯研究学院 2025-02-07 — — CN claimed
CN-119403551-A Small molecule inhibitors of TEA domain family members 斯克里普斯研究学院 2025-02-07 — — CN disclosed
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