SCHEMBL31583497

SCHEMBL31583497

COCCn1nc(C)c2cccc(CC(=O)OC(C)(C)C)c21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ MTNR1A P48039 5/20 0.35
▸ MTNR1B P49286 5/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ SLC22A12 Q96S37 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ NR3C1 P04150 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
SCHEMBL31583096 0.83 L3MBTL1 (0.40) L3MBTL1MTNR1AMTNR1BSLC22A12LMNA
SCHEMBL31583078 0.78 L3MBTL1 (0.38) L3MBTL1MTNR1AMTNR1BP2RX7LMNA
SCHEMBL31582612 0.78 MPO (0.34) MPOSLC22A12LMNAHPGDCNR1
SCHEMBL31583192 0.74 L3MBTL1 (0.38) L3MBTL1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL31582540 0.72 MPO (0.44) L3MBTL1MPOLMNASMN1; SMN2KDM4C
SCHEMBL31583259 0.71 L3MBTL1 (0.36) L3MBTL1MTNR1AMTNR1BLMNASMN1; SMN2
SCHEMBL31582832 0.71 SMN1; SMN2 (0.36) L3MBTL1MTNR1AMTNR1BSLC22A12LMNA
SCHEMBL31582800 0.70 L3MBTL1 (0.35) L3MBTL1MTNR1AMTNR1BCNR1CNR2
SCHEMBL31582852 0.69 RECQL (0.46) L3MBTL1HPGDSMN1; SMN2
SCHEMBL31583004 0.69 MTNR1A (0.36) L3MBTL1MTNR1AMTNR1BLMNA

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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