SCHEMBL7297974

SCHEMBL7297974

N=C(NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)CCc1cccs1)NC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.42
F2 P00734 5/20 0.41
PLG P00747 2/20 0.41
CASP1 P29466 2/20 0.40
PRCP P42785 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CTRB1 P17538 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
PREP P48147 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 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
SCHEMBL7295927 0.92 F2 (0.49) ACEF2PLGCASP1PRCP
SCHEMBL7301590 0.90 ACE (0.45) ACEF2PRCPDPP4DPP8
SCHEMBL7304387 0.86 ACE (0.46) ACEF2PLGCASP1PRCP
SCHEMBL7302872 0.86 ACE (0.44) ACEF2PLGCASP1PRCP
Hydrochloric Acid SCHEMBL7296502 0.83 F2 (0.43) F2PLGDPP4ALDH1A1HTT
SCHEMBL7294595 0.83 KMT2A (0.45) ACEF2PLGCASP1PRCP
SCHEMBL7297377 0.81 F2 (0.50) ACEF2PRCPDPP4DPP8
SCHEMBL7298055 0.79 F2 (0.61) F2PLGCASP1PRCPDPP4
SCHEMBL7295597 0.77 F2 (0.48) ACEF2PLGCASP1DPP4
SCHEMBL7296144 0.77 F2 (0.43) ACEF2PLGCASP1PRCP

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