SCHEMBL7305461

SCHEMBL7305461

NC(=NC(=O)[C@@H]1CCCN1)N(CCC[C@H](N)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CTSC P53634 1/20 0.36
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
TSHR P16473 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CTSL P07711 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A1 P43005 1/20 0.33
GHSR Q92847 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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 0.80 SPHK2 (0.44) DPP4DPP8DPP9DPP7
SCHEMBL7296963 0.79 ACE (0.40) DPP4DPP8DPP9DPP7
SCHEMBL7297128 0.77 CPT2 (0.44) DPP4DPP8DPP9DPP7
SCHEMBL7302058 0.77 KLK7 (0.45) TSHR
SCHEMBL9658435 0.76 SLC1A1 (0.44) CTSLSLC1A3SLC1A1
SCHEMBL7296919 0.76 LTA4H (0.38) CTSLSLC1A3SLC1A1
SCHEMBL7296710 0.74 NOS3 (0.47) CTSLSLC1A3SLC1A1
SCHEMBL6359011 0.74 SLC1A1 (0.46) DPP8DPP9DPP7SLC1A3SLC1A1
SCHEMBL7303916 0.74 CTSL (0.52) CTSLITGB3ITGA2B
SCHEMBL7338057 0.73 ACE (0.38) DPP4DPP8DPP9DPP7CHRM2

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 disclosed