SCHEMBL15094385

SCHEMBL15094385

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.60
▸ OPRD1 P41143 4/20 0.60
▸ NMUR2 Q9GZQ4 2/20 0.56
▸ NMUR1 Q9HB89 2/20 0.56
▸ SLC6A2 P23975 1/20 0.55

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
SCHEMBL15094382 1.00 OPRM1 (0.60) OPRM1OPRD1NMUR2NMUR1SLC6A2
SCHEMBL29788968 0.86 NMUR2 (0.60) OPRM1OPRD1NMUR2NMUR1SLC6A2
SCHEMBL30102155 0.86 OPRD1 (0.55) OPRM1OPRD1NMUR2NMUR1
SCHEMBL29681572 0.85 OPRM1 (0.59) OPRM1OPRD1NMUR2NMUR1
SCHEMBL26342858 0.85 OPRM1 (0.72) OPRM1OPRD1SLC6A2
SCHEMBL30504141 0.85 NTSR1 (0.57) OPRD1SLC6A2
SCHEMBL31612357 0.85 SLC6A2 (0.73) OPRM1OPRD1NMUR2NMUR1SLC6A2
SCHEMBL30454485 0.84 NMUR2 (0.54) OPRM1OPRD1NMUR2NMUR1
SCHEMBL29760530 0.84 SLC6A2 (0.60) NMUR2NMUR1SLC6A2
SCHEMBL31013463 0.84 SLC6A2 (0.61) OPRM1OPRD1NMUR2NMUR1SLC6A2

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-2800974-B1 METHOD FOR PRODUCING AN EXAMINATION REAGENT AND KIT FOR ANALYSING A T-CELL FREQUENCY JACOBS UNIV BREMEN GMBH (DE) 2016-12-14 — — EP disclosed
EP-2800974-A1 METHOD FOR PRODUCING AN EXAMINATION REAGENT AND KIT FOR ANALYSING A T-CELL FREQUENCY Jacobs University Bremen GmbH (DE) 2014-11-12 — — EP disclosed
WO-2013102458-A1 METHOD FOR PRODUCING AN EXAMINATION REAGENT AND KIT FOR ANALYSING A T-CELL FREQUENCY JACOBS UNIVERSITY BREMEN GGMBH (DE) 2013-07-11 — — WO disclosed
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