SCHEMBL8526883

SCHEMBL8526883

N=C(N)NCCC[C@H](C(=O)NCC(=O)O)N(CCc1ccc(CNC(N)=O)cc1)C(=O)C(c1ccc(OCC(=O)O)cc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.34
NPY4R P50391 2/20 0.34
NPY5R Q15761 1/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
EPOR P19235 3/20 0.32
TBXA2R P21731 1/20 0.32
TBXAS1 P24557 1/20 0.32
MASP2 O00187 1/20 0.31
F2 P00734 1/20 0.31
PTGIR P43119 1/20 0.31

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
SCHEMBL7036782 0.92 EPOR (0.36) NPY1RNPY4RNPY5RITGB3ITGA2B
SCHEMBL7043493 0.87 MEN1 (0.35) NPY1RNPY4RNPY5RITGB3ITGA2B
SCHEMBL6901717 0.85 EPOR (0.35) NPY1RNPY4RNPY5RITGB3ITGA2B
SCHEMBL7039253 0.84 CASR (0.38) ITGB3ITGA2B
SCHEMBL9196992 0.84 CNR1 (0.42) ITGB3ITGA2B
SCHEMBL8119013 0.83 CNR1 (0.45) NPY1REPHX2
SCHEMBL8073040 0.81 NPY1R (0.41) NPY1RNPY4RNPY5REPHX2MASP2
SCHEMBL8069354 0.80 CASR (0.45) NPY1RMASP2F2
SCHEMBL8059173 0.80 CYP2C9 (0.44) NPY1RNPY5R
SCHEMBL6901712 0.78 NPY1R (0.57) NPY1RNPY4RNPY5R

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed