SCHEMBL7294033

SCHEMBL7294033

N=C(NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCC1CCCCC1)C(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
ACE P12821 2/20 0.47
F2 P00734 4/20 0.44
PRCP P42785 1/20 0.42
FOLH1 Q04609 2/20 0.42
CTRB1 P17538 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL7297377 0.91 F2 (0.50) ACEF2PRCPFOLH1CTRB1
SCHEMBL7302872 0.90 ACE (0.44) ITGB3ITGA2BACEF2PRCP
SCHEMBL7301590 0.86 ACE (0.45) ACEF2PRCPFOLH1CTRB1
SCHEMBL7304353 0.86 ACE (0.49) ACEF2PRCPFOLH1CTRB1
SCHEMBL7294739 0.85 KMT2A (0.46) ITGB3ITGA2BACEPRCPFOLH1
SCHEMBL7295927 0.81 F2 (0.49) ACEF2PRCPCTRB1KMT2A
SCHEMBL7293940 0.81 PTGER4 (0.52) ITGB3ITGA2BACEF2PRCP
SCHEMBL29388202 0.80 PREP (0.51) ACEF2PRCPFOLH1CTRB1
SCHEMBL10724980 0.80 MALT1 (0.45) ITGB3ITGA2BACEPRCPFOLH1
SCHEMBL7295726 0.80 OPRM1 (0.44) ACEF2CTRB1

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-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 EP claimed
EP-0526877-A2 Peptide aldehydes as antithrombotic agents Bristol-Myers Squibb Company (US) 1993-02-10 EP disclosed