SCHEMBL7101546

SCHEMBL7101546

NCc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.55
DPP4 P27487 3/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53
DPP7 Q9UHL4 2/20 0.53
FAP Q12884 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
OPRM1 P35372 2/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51

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
SCHEMBL7102492 0.94 CYP3A4 (0.58) F2DPP4DPP8DPP9DPP7
SCHEMBL21067756 0.91 DPP4 (0.61) F2DPP4DPP8DPP9DPP7
SCHEMBL21067758 0.91 DPP4 (0.61) F2DPP4DPP8DPP9DPP7
SCHEMBL21067749 0.89 F2 (0.69) F2DPP4DPP8DPP9DPP7
SCHEMBL21067421 0.89 DPP4 (0.59) F2DPP4DPP8DPP9DPP7
SCHEMBL21067419 0.89 DPP4 (0.59) F2DPP4DPP8DPP9DPP7
SCHEMBL21067746 0.89 F2 (0.69) F2DPP4DPP8DPP9DPP7
SCHEMBL21067716 0.89 CYP3A4 (0.58) F2DPP4DPP8DPP9DPP7
SCHEMBL21067718 0.89 CYP3A4 (0.58) F2DPP4DPP8DPP9DPP7
SCHEMBL31060298 0.89 DPP4 (0.59) F2DPP4DPP8DPP9DPP7

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
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed