SCHEMBL7440658

SCHEMBL7440658

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.57
FAP Q12884 2/20 0.57
DPP8 Q6V1X1 2/20 0.57
DPP9 Q86TI2 2/20 0.57
DPP7 Q9UHL4 2/20 0.57
AKT1 P31749 2/20 0.55
AKT2 P31751 2/20 0.55
AKT3 Q9Y243 2/20 0.55
OPRD1 P41143 3/20 0.48
F2 P00734 1/20 0.47
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
OPRK1 P41145 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL7364169 0.88 DPP4 (0.55) DPP4FAPDPP8DPP9DPP7
SCHEMBL6162780 0.88 DPP7 (0.60) DPP4FAPDPP8DPP9DPP7
SCHEMBL6162776 0.88 DPP7 (0.60) DPP4FAPDPP8DPP9DPP7
SCHEMBL7369343 0.87 DPP4 (0.54) DPP4FAPDPP8DPP9DPP7
SCHEMBL7363744 0.86 OPRD1 (0.61) DPP4OPRD1OPRK1HRH2HRH1
SCHEMBL7361820 0.86 DPP4 (0.52) DPP4DPP8DPP9DPP7AKT1
SCHEMBL14311579 0.84 DPP7 (0.61) DPP4FAPDPP8DPP9DPP7
SCHEMBL8881323 0.83 DPP4 (0.55) DPP4FAPDPP8DPP9DPP7
SCHEMBL6160377 0.83 AKT1 (0.60) DPP4FAPDPP8DPP9DPP7
SCHEMBL6166321 0.83 AKT1 (0.60) DPP4FAPDPP8DPP9DPP7

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