SCHEMBL7435281

SCHEMBL7435281

N[C@@H](Cc1cscn1)C(=O)N1CCC(CCF)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.56
DPP4 P27487 5/20 0.54
DPP8 Q6V1X1 2/20 0.54
DPP9 Q86TI2 2/20 0.54
F2 P00734 1/20 0.41
OPRK1 P41145 2/20 0.39
NLN Q9BYT8 2/20 0.38
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 1/20 0.34

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
SCHEMBL4705976 0.79 DPP4 (0.54) OPRD1DPP4DPP8DPP9AKT1
SCHEMBL7369287 0.79 DPP4 (0.54) OPRD1DPP4F2OPRK1NLN
Hydrochloric Acid SCHEMBL7367500 0.78 DPP4 (0.53) OPRD1DPP4F2OPRK1NLN
SCHEMBL20572087 0.75 OPRD1 (0.48) OPRD1DPP4DPP8DPP9OPRK1
SCHEMBL20572088 0.75 OPRD1 (0.48) OPRD1DPP4DPP8DPP9OPRK1
SCHEMBL4775313 0.74 OPRD1 (0.59) OPRD1DPP4DPP8DPP9AKT1
SCHEMBL7361667 0.74 OPRK1 (0.57) OPRD1DPP4DPP8DPP9OPRK1
SCHEMBL7360569 0.73 HDAC8 (0.55) OPRD1DPP4OPRK1HRH2HRH1
SCHEMBL7368941 0.73 DPP4 (0.61) DPP4DPP8DPP9F2OPRK1
SCHEMBL7367542 0.73 DPP4 (0.51) OPRD1DPP4DPP8DPP9F2

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