SCHEMBL31582811

SCHEMBL31582811

CC1Cc2ccc(CCCCCOC3CN(C(=O)OC(C)(C)C)C3)nc2N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 4/20 0.37
ITGB6 P18564 4/20 0.37
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
NAMPT P43490 1/20 0.33
GPR119 Q8TDV5 6/20 0.33
PDE10A Q9Y233 2/20 0.31
PIK3CD O00329 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
SCHEMBL31583459 0.87 ITGAV (0.38) ITGAVITGB6PRMT5WDR77NAMPT
SCHEMBL31582686 0.86 ITGAV (0.43) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL31582861 0.84 ITGAV (0.38) ITGAVITGB6PRMT5WDR77NAMPT
SCHEMBL20141376 0.83 ITGAV (0.44) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL31062885 0.81 ITGAV (0.47) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL31063024 0.81 ITGAV (0.47) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL28744015 0.79 ITGAV (0.44) ITGAVITGB6PRMT5WDR77GPR119
Hydrochloric Acid SCHEMBL31583040 0.78 ITGAV (0.39) ITGAVITGB6
SCHEMBL31063183 0.76 ITGAV (0.37) ITGAVITGB6PRMT5WDR77GPR119
SCHEMBL21767497 0.76 ITGAV (0.44) ITGAVITGB6PRMT5WDR77GPR119

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