SCHEMBL7361820

SCHEMBL7361820

CCC1CCN(C(=O)[C@@H](N)Cc2ccc(N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
OPRD1 P41143 3/20 0.51
OPRK1 P41145 1/20 0.47
F2 P00734 1/20 0.45
AKT1 P31749 1/20 0.45
SMYD3 Q9H7B4 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
SCHEMBL7363744 0.90 OPRD1 (0.61) DPP4OPRD1OPRK1SMYD3
SCHEMBL7361154 0.86 AKT1 (0.49) DPP4OPRD1OPRK1AKT1SMYD3
SCHEMBL7440658 0.86 DPP4 (0.57) DPP4DPP8DPP9DPP7OPRD1
SCHEMBL7367542 0.86 DPP4 (0.51) DPP4DPP8DPP9DPP7OPRD1
SCHEMBL7366936 0.85 DPP4 (0.50) DPP4DPP8DPP9DPP7OPRD1
SCHEMBL7364592 0.84 DPP4 (0.56) DPP4DPP8DPP9DPP7OPRD1
Hydrochloric Acid SCHEMBL7365105 0.83 DPP4 (0.55) DPP4DPP8DPP9DPP7OPRD1
Hydrochloric Acid SCHEMBL7365110 0.83 DPP4 (0.55) DPP4DPP8DPP9DPP7OPRD1
SCHEMBL5359350 0.76 DPP4 (0.57) DPP4DPP8DPP9DPP7AKT1
SCHEMBL2375476 0.76 OPRK1 (0.71) DPP4OPRD1OPRK1

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