SCHEMBL7368941

SCHEMBL7368941

N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CCF)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.61
FAP Q12884 3/20 0.53
DPP8 Q6V1X1 3/20 0.53
DPP9 Q86TI2 3/20 0.53
DPP7 Q9UHL4 3/20 0.53
AKT1 P31749 4/20 0.52
AKT2 P31751 1/20 0.52
AKT3 Q9Y243 1/20 0.52
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
AKT1S1 Q96B36 1/20 0.46
OPRK1 P41145 1/20 0.46
F2 P00734 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
SCHEMBL7367542 0.90 DPP4 (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL7360569 0.90 HDAC8 (0.55) DPP4HRH2HRH1OPRK1
SCHEMBL7361667 0.88 OPRK1 (0.57) DPP4FAPDPP8DPP9DPP7
SCHEMBL7360354 0.85 F2 (0.49) DPP4FAPDPP8DPP9DPP7
SCHEMBL7364169 0.85 DPP4 (0.55) DPP4FAPDPP8DPP9DPP7
SCHEMBL2606773 0.85 DPP4 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL2606751 0.85 DPP4 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL4327505 0.85 DPP4 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL3140707 0.85 DPP4 (0.65) DPP4FAPDPP8DPP9DPP7
SCHEMBL3145720 0.85 DPP4 (0.65) 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