SCHEMBL9544868

SCHEMBL9544868

CC(C)(C)OC(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2CC(=O)O)CC[C@H]1c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.40
ABCB1 P08183 1/20 0.39
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
RIPK1 Q13546 2/20 0.38
NAMPT P43490 2/20 0.37
NR1D1 P20393 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
UCHL1 P09936 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
SCHEMBL9544782 0.89 OPRD1 (0.36) OPRD1PRMT5WDR77NR1D1
SCHEMBL9544069 0.89 OPRD1 (0.36) OPRD1PRMT5WDR77NR1D1
SCHEMBL9544151 0.87 ACE (0.43) RIPK1
SCHEMBL16681762 0.82 ABCB1 (0.48) ABCB1RIPK1
SCHEMBL16680417 0.82 ABCB1 (0.48) ABCB1RIPK1
SCHEMBL9544871 0.81 HTRA1 (0.48) OPRD1PRMT5WDR77NAMPTMEN1
SCHEMBL9543600 0.81 HTRA1 (0.48) OPRD1PRMT5WDR77NAMPTMEN1
SCHEMBL9542796 0.81 OPRD1 (0.35) OPRD1
SCHEMBL9542592 0.81 BCL2 (0.33) NR1D1
SCHEMBL9543404 0.81 UCHL1 (0.53) PRMT5WDR77RIPK1NAMPTUCHL1

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