SCHEMBL31583004

SCHEMBL31583004

Cc1ccc(CC(=O)OC(C)(C)C)c2c1c(C)nn2C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.36
▸ MTNR1B P49286 5/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RIPK1 Q13546 1/20 0.31
▸ RIPK3 Q9Y572 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ PTK6 Q13882 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31

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 0.80 L3MBTL1 (0.40) MTNR1AMTNR1BL3MBTL1LMNAKDM4E
SCHEMBL31582665 0.74 MTNR1A (0.34) MTNR1AMTNR1BL3MBTL1KDM4E
SCHEMBL31582884 0.73 MTNR1A (0.43) MTNR1AMTNR1BL3MBTL1LMNAABL1
SCHEMBL31582533 0.72 NR3C1 (0.31) LMNAKDM4E
SCHEMBL31583192 0.72 L3MBTL1 (0.38) MTNR1AMTNR1BL3MBTL1KDM4E
SCHEMBL31583259 0.69 L3MBTL1 (0.36) MTNR1AMTNR1BL3MBTL1LMNAKDM4E
SCHEMBL31582832 0.69 SMN1; SMN2 (0.36) MTNR1AMTNR1BL3MBTL1LMNAKDM4E
SCHEMBL31582800 0.68 L3MBTL1 (0.35) MTNR1AMTNR1BL3MBTL1KDM4E
SCHEMBL12318344 0.67 MTNR1A (0.48) MTNR1AMTNR1BL3MBTL1LMNAMAPT
SCHEMBL24791847 0.66 MTNR1A (0.46) MTNR1AMTNR1B

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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