SCHEMBL9747710

SCHEMBL9747710

NCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.47
LNPEP Q9UIQ6 1/20 0.47
GHSR Q92847 1/20 0.46
MMP2 P08253 1/20 0.46
PSMB1 P20618 1/20 0.45
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB10 P40306 1/20 0.45
PSMB2 P49721 1/20 0.45
ECE1 P42892 1/20 0.45
OPRK1 P41145 1/20 0.45
ITGB3 P05106 5/20 0.44
ITGA2B P08514 5/20 0.44
GNPAT O15228 1/20 0.44

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
SCHEMBL29531327 1.00 ERAP2 (0.47) ERAP2LNPEPGHSRMMP2PSMB1
SCHEMBL9747696 1.00 ERAP2 (0.47) ERAP2LNPEPGHSRMMP2PSMB1
SCHEMBL9391225 0.96 ERAP2 (0.49) ERAP2LNPEPGHSRMMP2PSMB1
SCHEMBL30592737 0.95 NPY1R (0.49) ERAP2LNPEPGHSRPSMB1PSMB8
SCHEMBL29540123 0.95 NPY1R (0.49) ERAP2LNPEPGHSRPSMB1PSMB8
SCHEMBL30081066 0.95 NPY1R (0.49) ERAP2LNPEPGHSRPSMB1PSMB8
SCHEMBL29798185 0.94 OPRK1 (0.54) ERAP2LNPEPOPRK1
SCHEMBL31127562 0.93 SMN1; SMN2 (0.46) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL30575101 0.93 NPY1R (0.49) ERAP2LNPEPGHSRPSMB1PSMB8
SCHEMBL5969682 0.92 ERAP2 (0.51) ERAP2LNPEPGHSRMMP2PSMB1

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-0514460-A1 ANTI-OXIDATIVE AND ANTI-INFLAMMATORY METAL:PEPTIDE COMPLEXES AND USES THEREOF PROCYTE CORPORATION (US) 1992-11-25 EP disclosed
WO-1991012267-A1 ANTI-OXIDATIVE AND ANTI-INFLAMMATORY METAL:PEPTIDE COMPLEXES AND USES THEREOF PROCYTE CORPORATION (US) 1991-08-22 WO disclosed