SCHEMBL9544848

SCHEMBL9544848

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.55
OPRD1 P41143 3/20 0.54
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KLK7 P49862 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HSD11B1 P28845 1/20 0.45
PREP P48147 3/20 0.45
NPC1 O15118 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL9544287 0.89 OPRD1 (0.47) UCHL1OPRD1HDAC8PREPOPRK1
SCHEMBL27726226 0.86 UCHL1 (0.58) UCHL1OPRD1HSD17B10MEN1KMT2A
SCHEMBL29401750 0.85 OPRD1 (0.49) OPRD1MEN1KMT2AHDAC8
SCHEMBL29163531 0.85 OPRD1 (0.49) OPRD1MEN1KMT2AHDAC8
SCHEMBL4595926 0.85 OPRD1 (0.49) OPRD1MEN1KMT2AHDAC8
SCHEMBL5064869 0.85 OPRD1 (0.49) OPRD1MEN1KMT2AHDAC8
SCHEMBL27726216 0.82 UCHL1 (0.54) UCHL1OPRD1HSD17B10MEN1KMT2A
SCHEMBL9543600 0.82 HTRA1 (0.48) OPRD1MEN1KMT2AHDAC8
SCHEMBL9544871 0.82 HTRA1 (0.48) OPRD1MEN1KMT2AHDAC8
SCHEMBL9544041 0.81 OPRD1 (0.40) OPRD1

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