SCHEMBL7301590

SCHEMBL7301590

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.45
F2 P00734 3/20 0.42
PRCP P42785 1/20 0.40
FOLH1 Q04609 2/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CTRB1 P17538 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MC4R P32245 1/20 0.38
FAP Q12884 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
SCHEMBL7297377 0.91 F2 (0.50) ACEF2PRCPFOLH1DPP4
SCHEMBL7297974 0.90 ACE (0.42) ACEF2PRCPDPP4DPP8
SCHEMBL7304353 0.86 ACE (0.49) ACEF2PRCPFOLH1CTRB1
SCHEMBL7294033 0.86 ITGB3 (0.49) ACEF2PRCPFOLH1DPP4
SCHEMBL7294739 0.83 KMT2A (0.46) ACEPRCPFOLH1DPP4DPP8
SCHEMBL7295927 0.81 F2 (0.49) ACEF2PRCPDPP4DPP8
SCHEMBL7293940 0.78 PTGER4 (0.52) ACEF2PRCPFOLH1DPP4
SCHEMBL29388202 0.78 PREP (0.51) ACEF2PRCPFOLH1DPP4
SCHEMBL10724980 0.78 MALT1 (0.45) ACEPRCPFOLH1DPP4DPP8
SCHEMBL7295726 0.77 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 1 patent. 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