SCHEMBL26699086

SCHEMBL26699086

Cc1cc(=O)cc(-c2cc(Cl)c(C(C)(C)C)cc2C)[nH]1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL31747944 0.86 — —
SCHEMBL26601879 0.78 — —
SCHEMBL26601710 0.76 — —
SCHEMBL26699083 0.74 — —
SCHEMBL26601568 0.74 MAPK1 (0.34) —
SCHEMBL31747844 0.74 ALDH1A1 (0.41) —
SCHEMBL31747894 0.74 TRPA1 (0.35) —
SCHEMBL31747907 0.73 CYP26A1 (0.45) —
SCHEMBL26701304 0.72 — —
SCHEMBL26601569 0.72 — —

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-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 — — WO disclosed
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