SCHEMBL9542669

SCHEMBL9542669

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1CC(c2ccccc2)=C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.36
OPRD1 P41143 1/20 0.36
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 3/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL9544041 0.89 OPRD1 (0.40) OPRD1
SCHEMBL9544396 0.88 OPRD1 (0.39) OPRD1
SCHEMBL9544094 0.88 OPRD1 (0.39) OPRD1
SCHEMBL9544287 0.83 OPRD1 (0.47) UCHL1OPRD1HDAC8
SCHEMBL9542668 0.81 HTRA1 (0.39) OPRD1
SCHEMBL9542442 0.81 HTRA1 (0.39) OPRD1
SCHEMBL9544069 0.80 OPRD1 (0.36) OPRD1PRMT5WDR77
SCHEMBL9544782 0.80 OPRD1 (0.36) OPRD1PRMT5WDR77
SCHEMBL9544205 0.79 ACE (0.35) OPRD1
SCHEMBL9544882 0.79 PREP (0.37) OPRD1PRMT5WDR77

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