SCHEMBL31580651

SCHEMBL31580651

O=C1NCCCC12CCOCC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2A Q12879 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ OTUD7B Q6GQQ9 1/20 0.33
▸ TNKS O95271 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ OR51E2 Q9H255 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 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
SCHEMBL19659532 0.87 OTUD7B (0.42) GAALTA4HHSD11B1OTUD7BTNKS
SCHEMBL24203881 0.85 OTUD7B (0.41) GAAOTUD7BTNKSCYP3A4CYP2C9
SCHEMBL5173578 0.84 OTUD7B (0.37) LTA4HGRIN1GRIN2AOTUD7BOR51E2
SCHEMBL25238524 0.84 OTUD7B (0.37) LTA4HGRIN1GRIN2AOTUD7BOR51E2
SCHEMBL15018071 0.84 — —
SCHEMBL2171976 0.82 GRIN1 (0.40) LTA4HGRIN1GRIN2AOTUD7BOR51E2
SCHEMBL9129408 0.80 CRBN (0.40) LTA4HGRIN1GRIN2AOTUD7BOR51E2
SCHEMBL20788754 0.79 OTUD7B (0.33) LTA4HGRIN1GRIN2AOTUD7B
SCHEMBL16835493 0.79 GAA (0.33) GAALTA4HGRIN1GRIN2AOTUD7B
SCHEMBL2023430 0.78 CRBN (0.39) LTA4HGRIN1GRIN2AOTUD7BOR51E2

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
WO-2025104411-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2025-05-22 — — WO claimed
WO-2025104411-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2025-05-22 — — WO disclosed
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