SCHEMBL7102905

SCHEMBL7102905

N=C(N)c1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.61
TMPRSS11D O60235 4/20 0.50
DPP4 P27487 2/20 0.50
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
FAP Q12884 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL15077024 0.91 F2 (0.74) F2TMPRSS11D
SCHEMBL23752316 0.91 F2 (0.74) F2TMPRSS11D
SCHEMBL7148728 0.91 F2 (0.74) F2TMPRSS11D
Hydrochloric Acid SCHEMBL7357933 0.90 F2 (0.73) F2TMPRSS11D
Hydrochloric Acid SCHEMBL7147479 0.90 F2 (0.73) F2TMPRSS11D
SCHEMBL21067756 0.87 DPP4 (0.61) F2DPP4DPP8DPP9DPP7
SCHEMBL21067758 0.87 DPP4 (0.61) F2DPP4DPP8DPP9DPP7
SCHEMBL7101546 0.87 F2 (0.55) F2DPP4DPP8DPP9DPP7
SCHEMBL21067419 0.86 DPP4 (0.59) F2DPP4DPP8DPP9DPP7
SCHEMBL21067716 0.86 CYP3A4 (0.58) 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