SCHEMBL7344786

SCHEMBL7344786

N=C(N)NCCC[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)c1ccccc1)C1NCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.37
ITGB1 P05556 8/20 0.37
ITGAV P06756 8/20 0.37
ITGA5 P08648 8/20 0.37
MDM2 Q00987 7/20 0.37
ITGA2B P08514 8/20 0.36
MDM4 O15151 4/20 0.36
KEAP1 Q14145 1/20 0.34
F10 P00742 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL7345450 0.81 ITGB3 (0.48) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7353534 0.79 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7345936 0.79 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7352151 0.77 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7345666 0.77 ITGB3 (0.36) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7345928 0.75 PTGER4 (0.51) F10
SCHEMBL7345324 0.72 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL7346375 0.69 ITGB3 (0.37) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL9295158 0.69 ITGB3 (0.43) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL2750013 0.69 C3AR1 (0.50) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570507-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORP (US) 1994-09-21 EP claimed
EP-0570507-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1993-11-24 EP claimed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO claimed
EP-0570507-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORP (US) 1994-09-21 EP disclosed
EP-0570507-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1993-11-24 EP disclosed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO disclosed