SCHEMBL11270168

SCHEMBL11270168

NCCC(=O)N[C@@H](Cc1cn(C(=O)c2ccccc2)cn1)C(=O)O.[AlH3]

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 10/20 0.43
ACE P12821 2/20 0.42
CPB1 P15086 4/20 0.42
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37

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
SCHEMBL11292586 1.00 CPB2 (0.43) CPB2ACECPB1ITGB3ITGA2B
SCHEMBL11148260 0.99 CPB2 (0.44) CPB2ACECPB1ITGB3ITGA2B
SCHEMBL11288815 0.99 CPB2 (0.44) CPB2ACECPB1ITGB3ITGA2B
SCHEMBL9110288 0.85 CPB2 (0.48) CPB2CPB1ITGB3ITGA2B
SCHEMBL8896989 0.85 CPB2 (0.48) CPB2CPB1ITGB3ITGA2B
SCHEMBL22392864 0.83 CPB2 (0.49) CPB2CPB1ITGB3ITGA2B
SCHEMBL749157 0.83 CPB2 (0.49) CPB2CPB1ITGB3ITGA2B
SCHEMBL636655 0.83 CPB2 (0.49) CPB2CPB1ITGB3ITGA2B
SCHEMBL17044394 0.83 CPB2 (0.49) CPB2CPB1ITGB3ITGA2B
SCHEMBL11225379 0.83 CPB2 (0.49) CPB2CPB1ITGB3ITGA2B

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
US-4342774-A N-Acylcarnosine aluminum salt, its preparation, and a digestive ulcer remedy containing such salt NIPPON CHEMIPHAR CO., LTD. (JP) 1982-08-03 US disclosed
US-4339378-A ANTIULCER AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1982-07-13 US disclosed