SCHEMBL7364169

SCHEMBL7364169

COc1ccc(C[C@H](N)C(=O)N2CCC(CCF)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.55
DPP7 Q9UHL4 4/20 0.55
FAP Q12884 3/20 0.55
DPP8 Q6V1X1 3/20 0.55
DPP9 Q86TI2 3/20 0.55
AKT1 P31749 1/20 0.53
AKT2 P31751 1/20 0.53
AKT3 Q9Y243 1/20 0.53
F2 P00734 6/20 0.51
OPRK1 P41145 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
F10 P00742 1/20 0.45
PLG P00747 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
OPRD1 P41143 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
SCHEMBL7369343 0.90 DPP4 (0.54) DPP4DPP7FAPDPP8DPP9
SCHEMBL7440658 0.88 DPP4 (0.57) DPP4DPP7FAPDPP8DPP9
SCHEMBL7367542 0.85 DPP4 (0.51) DPP4DPP7FAPDPP8DPP9
SCHEMBL7360569 0.85 HDAC8 (0.55) DPP4OPRK1HRH2HRH1OPRD1
SCHEMBL7368941 0.85 DPP4 (0.61) DPP4DPP7FAPDPP8DPP9
SCHEMBL6162780 0.85 DPP7 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL6162776 0.85 DPP7 (0.60) DPP4DPP7FAPDPP8DPP9
SCHEMBL7361667 0.84 OPRK1 (0.57) DPP4DPP7FAPDPP8DPP9
SCHEMBL4919555 0.84 HDAC3 (0.50) DPP4DPP7FAPDPP8DPP9
SCHEMBL4919564 0.84 HDAC3 (0.50) DPP4DPP7FAPDPP8DPP9

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