SCHEMBL7302872

SCHEMBL7302872

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.44
F2 P00734 6/20 0.43
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
PLG P00747 2/20 0.43
CASP1 P29466 2/20 0.41
PRCP P42785 1/20 0.41
CTRB1 P17538 1/20 0.41
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
FKBP1A P62942 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38

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
SCHEMBL7295927 0.91 F2 (0.49) ACEF2PLGCASP1PRCP
SCHEMBL7294033 0.90 ITGB3 (0.49) ACEF2ITGB3ITGA2BPRCP
SCHEMBL7304387 0.86 ACE (0.46) ACEF2PLGCASP1PRCP
SCHEMBL7297974 0.86 ACE (0.42) ACEF2PLGCASP1PRCP
SCHEMBL7294595 0.86 KMT2A (0.45) ACEF2PLGCASP1PRCP
SCHEMBL7298055 0.81 F2 (0.61) F2ITGB3ITGA2BPLGCASP1
SCHEMBL7297377 0.81 F2 (0.50) ACEF2PRCPCTRB1KMT2A
SCHEMBL7295597 0.80 F2 (0.48) ACEF2PLGCASP1CTRB1
SCHEMBL7296144 0.80 F2 (0.43) ACEF2PLGCASP1PRCP
Hydrochloric Acid SCHEMBL7295490 0.79 F2 (0.50) F2PLGDPP4F10PRSS1

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