SCHEMBL9545367

SCHEMBL9545367

CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.44
NAMPT P43490 2/20 0.39
PREP P48147 1/20 0.39
UCHL1 P09936 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
RIPK1 Q13546 2/20 0.38
MAPK1 P28482 1/20 0.38
TACR1 P25103 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9544882 0.88 PREP (0.37) OPRD1NAMPTPREPPRMT5WDR77
SCHEMBL5064869 0.85 OPRD1 (0.49) OPRD1NAMPTPRMT5WDR77MAPK1
SCHEMBL4595926 0.85 OPRD1 (0.49) OPRD1NAMPTPRMT5WDR77MAPK1
SCHEMBL29401750 0.85 OPRD1 (0.49) OPRD1NAMPTPRMT5WDR77MAPK1
SCHEMBL29163531 0.85 OPRD1 (0.49) OPRD1NAMPTPRMT5WDR77MAPK1
SCHEMBL9544848 0.81 UCHL1 (0.55) OPRD1PREPUCHL1MEN1KMT2A
SCHEMBL9544871 0.79 HTRA1 (0.48) OPRD1NAMPTPRMT5WDR77MEN1
SCHEMBL9543600 0.79 HTRA1 (0.48) OPRD1NAMPTPRMT5WDR77MEN1
SCHEMBL9544868 0.78 OPRD1 (0.40) OPRD1NAMPTUCHL1PRMT5WDR77
SCHEMBL2299757 0.78 RORC (0.46) RIPK1TACR1

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed