SCHEMBL9502271

SCHEMBL9502271

CS(=O)(=O)c1ccc(C[C@@H](N)[C@H](O)C(=O)NC2(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.38
NPY4R P50391 7/20 0.38
NPY1R P25929 4/20 0.38
NPY2R P49146 2/20 0.37
NPY5R Q15761 2/20 0.37
NPPA P01160 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
TACR2 P21452 2/20 0.36
GRB2 P62993 3/20 0.36
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36

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
SCHEMBL9498619 0.79 LAP3 (0.42) ECE1ITGB1ITGA4
SCHEMBL9500894 0.79 LAP3 (0.42) ECE1ITGB1ITGA4
SCHEMBL9500536 0.79 LAP3 (0.42) ECE1ITGB1ITGA4
SCHEMBL9500855 0.78 LAP3 (0.41) ECE1ITGB1ITGA4
SCHEMBL9500612 0.77 LAP3 (0.42) ACEITGB1ITGA4
SCHEMBL29674608 0.76 FNTA (0.50) NPY4RNPY1RNPY2RNPY5RITGB3
SCHEMBL21570265 0.76 FNTA (0.50) NPY4RNPY1RNPY2RNPY5RITGB3
SCHEMBL21570230 0.75 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7435218 0.75 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7435202 0.75 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333000-B1 PEPTIDES WITH INHIBITORY ACTIVITY OF ENZYMATIC SYSTEMS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAMBON GROUP S.p.A. (IT) 1993-05-19 EP disclosed
EP-0333000-A2 Peptides with inhibitory activity of enzymatic systems, process for their preparation and pharmaceutical compositions containing them ZAMBON GROUP S.p.A. (IT) 1989-09-20 EP disclosed