SCHEMBL7366936

SCHEMBL7366936

Nc1ccc(C[C@H](N)C(=O)N2CCC(CCCl)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
DPP7 Q9UHL4 1/20 0.50
F2 P00734 1/20 0.47
AKT1 P31749 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRD1 P41143 2/20 0.44
SMYD3 Q9H7B4 1/20 0.43

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 0.90 HDAC8 (0.54) DPP4OPRK1OPRD1SMYD3
SCHEMBL7364618 0.89 OPRK1 (0.57) DPP4DPP8DPP9DPP7AKT1
SCHEMBL7367542 0.89 DPP4 (0.51) DPP4DPP8DPP9DPP7F2
SCHEMBL7369343 0.86 DPP4 (0.54) DPP4DPP8DPP9DPP7AKT1
SCHEMBL7361820 0.85 DPP4 (0.52) DPP4DPP8DPP9DPP7F2
SCHEMBL7368941 0.79 DPP4 (0.61) DPP4DPP8DPP9DPP7F2
SCHEMBL7360569 0.79 HDAC8 (0.55) DPP4OPRK1OPRD1SMYD3
SCHEMBL5359350 0.77 DPP4 (0.57) DPP4DPP8DPP9DPP7AKT1
SCHEMBL7361667 0.77 OPRK1 (0.57) DPP4DPP8DPP9DPP7AKT1
SCHEMBL2375481 0.76 OPRK1 (0.71) DPP4OPRK1OPRD1

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