SCHEMBL9846794

SCHEMBL9846794

NCCCC[C@H](N)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.67
CPB2 Q96IY4 1/20 0.67
SIRT2 Q8IXJ6 3/20 0.62
SIRT1 Q96EB6 3/20 0.62
SIRT3 Q9NTG7 2/20 0.62
FOLH1 Q04609 2/20 0.59
ECE1 P42892 1/20 0.57
ANPEP P15144 1/20 0.55
ITGB3 P05106 5/20 0.55
ITGAV P06756 1/20 0.55
ITGA2B P08514 4/20 0.54
SIRT5 Q9NXA8 1/20 0.54
TGM2 P21980 4/20 0.53
ACE P12821 1/20 0.52
MMP2 P08253 1/20 0.52

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
SCHEMBL1509765 0.92 CPB1 (0.70) CPB1CPB2SIRT2SIRT1SIRT3
Lysine SCHEMBL10720682 0.89 ITGB3 (0.60) CPB1CPB2SIRT2SIRT1SIRT3
SCHEMBL8179347 0.88 CPB1 (0.74) CPB1CPB2SIRT2SIRT1SIRT3
SCHEMBL287475 0.88 ITGB3 (0.66) CPB1CPB2SIRT2SIRT1SIRT3
SCHEMBL15968143 0.88 ITGB3 (0.66) CPB1CPB2SIRT2SIRT1SIRT3
SCHEMBL287474 0.88 ITGB3 (0.66) CPB1CPB2SIRT2SIRT1SIRT3
SCHEMBL6476819 0.88 ITGB3 (0.66) CPB1CPB2SIRT2SIRT1SIRT3
SCHEMBL29733071 0.87 ITGB3 (0.65) CPB1CPB2SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL21219335 0.87 ITGB3 (0.65) CPB1CPB2SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL11310715 0.87 ITGB3 (0.65) CPB1CPB2SIRT2SIRT1SIRT3

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-0434979-A1 Peptide derivatives useful as antagonists of bombesin and gastrin-releasing peptide MERRELL DOW PHARMACEUTICALS INC. (US) 1991-07-03 EP disclosed