SCHEMBL31582832

SCHEMBL31582832

CC(C)c1nn(C)c2c(CC(=O)OC(C)(C)C)cccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SSTR4 P31391 2/20 0.35
▸ MTNR1A P48039 5/20 0.34
▸ MTNR1B P49286 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ ELANE P08246 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL31583259 0.91 L3MBTL1 (0.36) SMN1; SMN2LMNAL3MBTL1SSTR4MTNR1A
SCHEMBL31583096 0.84 L3MBTL1 (0.40) SMN1; SMN2LMNAL3MBTL1MTNR1AMTNR1B
SCHEMBL31583192 0.84 L3MBTL1 (0.38) SMN1; SMN2L3MBTL1SSTR4MTNR1AMTNR1B
SCHEMBL31582800 0.80 L3MBTL1 (0.35) L3MBTL1SSTR4MTNR1AMTNR1BKDM4E
SCHEMBL31583078 0.76 L3MBTL1 (0.38) SMN1; SMN2LMNAL3MBTL1MTNR1AMTNR1B
SCHEMBL31582995 0.75 MTNR1A (0.36) L3MBTL1MTNR1AMTNR1BACHESIRT5
SCHEMBL31582981 0.75 LMNA (0.36) SMN1; SMN2LMNASSTR4KDM4EADORA3
SCHEMBL24758783 0.74 MTNR1A (0.40) SMN1; SMN2L3MBTL1MTNR1AMTNR1BKDM4E
SCHEMBL31583497 0.71 L3MBTL1 (0.36) SMN1; SMN2LMNAL3MBTL1MTNR1AMTNR1B
SCHEMBL23809387 0.70 DHODH (0.42) SMN1; SMN2LMNAL3MBTL1SSTR4KDM4E

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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