SCHEMBL7304357

SCHEMBL7304357

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
CTSL P07711 1/20 0.35
KISS1R Q969F8 1/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A1 P43005 1/20 0.33
ANPEP P15144 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
TPH1 P17752 1/20 0.33

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
SCHEMBL7302501 0.91 CTSL (0.34) SLC15A1CTSLKISS1RMMP8MMP14
SCHEMBL7303916 0.81 CTSL (0.52) CTSL
SCHEMBL7296919 0.78 LTA4H (0.38) SLC7A5CTSLNOS2SLC1A3SLC1A1
SCHEMBL9658435 0.76 SLC1A1 (0.44) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7296710 0.74 NOS3 (0.47) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6359011 0.74 SLC1A1 (0.46) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL9193091 0.73 SLC15A1 (0.46) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7301283 0.73 SLC15A1 (0.46) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7275440 0.72 SLC15A1 (0.47) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7305461 0.72 HTR2C (0.39) CTSLSLC1A3SLC1A1

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