SCHEMBL31582665

SCHEMBL31582665

Cc1nn(C)c2c(CC(=O)OC(C)(C)C)cncc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.34
▸ MTNR1B P49286 5/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CCNB2 O95067 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNB3 Q8WWL7 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
SCHEMBL31583096 0.82 L3MBTL1 (0.40) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL31583004 0.74 MTNR1A (0.36) MTNR1AMTNR1BL3MBTL1KDM4E
SCHEMBL31582899 0.72 — —
SCHEMBL31583192 0.72 L3MBTL1 (0.38) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL31582832 0.69 SMN1; SMN2 (0.36) MTNR1AMTNR1BL3MBTL1KDM4E
SCHEMBL31583259 0.69 L3MBTL1 (0.36) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL31582800 0.68 L3MBTL1 (0.35) MTNR1AMTNR1BL3MBTL1KDM4E
SCHEMBL31582884 0.68 MTNR1A (0.43) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL23336074 0.68 MTNR1A (0.41) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E
SCHEMBL3711932 0.68 CYP11B2 (0.44) MTNR1AMTNR1BL3MBTL1ALDH1A1KDM4E

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-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 — — WO disclosed
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