SCHEMBL7364618

SCHEMBL7364618

N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCCl)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.57
HDAC8 Q9BY41 3/20 0.56
OPRD1 P41143 1/20 0.56
DPP4 P27487 2/20 0.52
POLB P06746 1/20 0.52
FAP Q12884 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
AKT1 P31749 1/20 0.50
AKT2 P31751 1/20 0.50
AKT3 Q9Y243 1/20 0.50

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
SCHEMBL7365923 0.89 HDAC8 (0.54) OPRK1HDAC8OPRD1DPP4
SCHEMBL7366936 0.89 DPP4 (0.50) OPRK1OPRD1DPP4DPP8DPP9
SCHEMBL7361667 0.88 OPRK1 (0.57) OPRK1HDAC8OPRD1DPP4POLB
SCHEMBL2375481 0.88 OPRK1 (0.71) OPRK1HDAC8OPRD1DPP4POLB
SCHEMBL2375476 0.88 OPRK1 (0.71) OPRK1HDAC8OPRD1DPP4POLB
SCHEMBL5366189 0.85 HDAC8 (0.59) OPRK1HDAC8OPRD1DPP4POLB
SCHEMBL7369343 0.84 DPP4 (0.54) OPRK1OPRD1DPP4POLBFAP
SCHEMBL3133533 0.82 OPRD1 (0.65) OPRK1HDAC8OPRD1DPP4POLB
SCHEMBL6161830 0.82 OPRD1 (0.65) OPRK1HDAC8OPRD1DPP4POLB
SCHEMBL2375634 0.82 OPRD1 (0.61) OPRK1HDAC8OPRD1DPP4POLB

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed