SCHEMBL9815799

SCHEMBL9815799

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.49
▸ OPRK1 P41145 10/20 0.49
▸ OPRD1 P41143 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ F2 P00734 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ XIAP P98170 2/20 0.45
▸ PRCP P42785 1/20 0.45

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
SCHEMBL29561225 0.96 PRCP (0.46) OPRM1OPRK1F2PRSS1PRCP
SCHEMBL31437210 0.91 ACE (0.44) OPRM1OPRK1STAT6F2PRSS1
SCHEMBL31437193 0.87 PRCP (0.51) PRCP
SCHEMBL30540072 0.87 OPRM1 (0.50) OPRM1OPRK1OPRD1F2
SCHEMBL31467758 0.87 PRCP (0.46) OPRM1OPRK1PRCP
SCHEMBL31467771 0.85 PRCP (0.43) OPRM1OPRK1F2PRCP
SCHEMBL9815839 0.85 F2 (0.62) OPRM1OPRK1F2PRSS1
SCHEMBL31437183 0.84 PRCP (0.43) OPRM1OPRK1F2PRCP
SCHEMBL29812564 0.84 PRCP (0.43) OPRM1OPRK1PRCP
SCHEMBL29561678 0.84 CTRB1 (0.42) OPRM1OPRK1F2PRCP

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
EP-0235692-B1 OLIGOPEPTIDYL NITRILE DERIVATIVES, THE AGENTS CONTAINING THEM, PROCESS FOR THEIR PREPARATION AND THEIR USE BEHRINGWERKE Aktiengesellschaft (DE) 1991-11-06 — — EP disclosed
US-4927809-A ANTICOAGULANTS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1990-05-22 — — US disclosed
EP-0235692-A2 Oligopeptidyl nitrile derivatives, the agents containing them, process for their preparation and their use BEHRINGWERKE Aktiengesellschaft (DE) 1987-09-09 — — EP disclosed
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