SCHEMBL31582995

SCHEMBL31582995

CC(C)n1nc(F)c2cccc(CC(=O)OC(C)(C)C)c21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.36
▸ MTNR1B P49286 5/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.32
▸ ACHE P22303 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
SCHEMBL31583078 0.87 L3MBTL1 (0.38) MTNR1AMTNR1BL3MBTL1POLBESR1
SCHEMBL31582836 0.76 ESR1 (0.34) POLBESR1
SCHEMBL31582832 0.75 SMN1; SMN2 (0.36) MTNR1AMTNR1BL3MBTL1RORCSIRT5
SCHEMBL31583259 0.75 L3MBTL1 (0.36) MTNR1AMTNR1BL3MBTL1RORCSIRT5
SCHEMBL31583192 0.73 L3MBTL1 (0.38) MTNR1AMTNR1BL3MBTL1POLBSIRT5
SCHEMBL31583096 0.73 L3MBTL1 (0.40) MTNR1AMTNR1BL3MBTL1SIRT5ACHE
SCHEMBL31583076 0.73 L3MBTL1 (0.38) MTNR1AMTNR1BL3MBTL1POLBRORC
SCHEMBL31582800 0.70 L3MBTL1 (0.35) MTNR1AMTNR1BL3MBTL1RORCACHE
SCHEMBL9863289 0.69 MTNR1A (0.52) MTNR1AMTNR1BL3MBTL1RORCSIRT5
SCHEMBL2914936 0.69 SIRT5 (0.59) L3MBTL1SIRT5

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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