SCHEMBL9394125

SCHEMBL9394125

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.46
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ ERAP2 Q6P179 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.44
▸ ITGB3 P05106 2/20 0.44
▸ ITGA2B P08514 2/20 0.44
▸ CALCRL Q16602 1/20 0.42
▸ SLC15A2 Q16348 1/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMB8 P28062 1/20 0.42
▸ PSMB9 P28065 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PSMB10 P40306 1/20 0.42
▸ PSMB2 P49721 1/20 0.42

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
SCHEMBL9747437 1.00 MMP2 (0.46) MMP2OPRM1OPRD1OPRK1ERAP2
SCHEMBL9747696 0.92 ERAP2 (0.47) MMP2OPRK1ERAP2LNPEPITGB3
SCHEMBL29531327 0.92 ERAP2 (0.47) MMP2OPRK1ERAP2LNPEPITGB3
SCHEMBL9747710 0.92 ERAP2 (0.47) MMP2OPRK1ERAP2LNPEPITGB3
SCHEMBL29961451 0.92 ERAP2 (0.47) OPRM1OPRD1OPRK1ERAP2LNPEP
SCHEMBL31453807 0.89 SLC15A2 (0.50) OPRM1OPRD1OPRK1ERAP2LNPEP
SCHEMBL9747810 0.89 SLC15A2 (0.46) MMP2OPRD1ERAP2LNPEPSLC15A2
SCHEMBL9748489 0.89 SLC15A2 (0.46) MMP2OPRD1ERAP2LNPEPSLC15A2
SCHEMBL8427583 0.89 SLC15A2 (0.46) MMP2OPRD1ERAP2LNPEPSLC15A2
SCHEMBL9391225 0.89 ERAP2 (0.49) MMP2OPRK1ERAP2LNPEPSLC15A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994018230-A1 INHIBITION OF HIV REPLICATION BY PEPTIDE-COPPER COMPLEXES PROCYTE CORPORATION (US) 1994-08-18 — — WO disclosed
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
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