SCHEMBL7296963

SCHEMBL7296963

NC(=NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)N(CCC[C@H](N)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 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
KMT2A Q03164 1/20 0.38
CTRB1 P17538 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
FKBP1A P62942 1/20 0.37
PREP P48147 1/20 0.37
CTSK P43235 1/20 0.36
KLK7 P49862 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
GFER P55789 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL7302798 0.91 SPHK2 (0.44) ACEDPP4DPP8DPP9DPP7
SCHEMBL7297128 0.91 CPT2 (0.44) ACEDPP4DPP8DPP9DPP7
SCHEMBL7302058 0.88 KLK7 (0.45) KMT2ACTRB1FKBP1APREPCTSK
SCHEMBL7324515 0.87 ACE (0.46) ACEFKBP1A
SCHEMBL7338057 0.87 ACE (0.38) ACEDPP4DPP8DPP9DPP7
SCHEMBL7303956 0.82 CPT2 (0.42) ACEKMT2ACTRB1KLK7SPHK2
SCHEMBL7304579 0.82 SPHK2 (0.43) ACEDPP4DPP8DPP9DPP7
SCHEMBL7297651 0.82 ITGB3 (0.47) ACEDPP4DPP8OPRM1OPRD1
SCHEMBL7293906 0.81 FKBP4 (0.39) PREP
SCHEMBL7305461 0.79 HTR2C (0.39) DPP4DPP8DPP9DPP7

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