SCHEMBL20174122

SCHEMBL20174122

CNCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.61
NMUR2 Q9GZQ4 2/20 0.51
NMUR1 Q9HB89 2/20 0.51
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
NTSR2 O95665 2/20 0.51
NTSR1 P30989 2/20 0.51
SORT1 Q99523 2/20 0.51
SLC6A2 P23975 1/20 0.50
F2 P00734 1/20 0.49
REN P00797 1/20 0.49

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
SCHEMBL20174121 0.87 F2 (0.54) OPRK1F2REN
SCHEMBL18176637 0.85 OPRK1 (0.79) OPRK1NMUR2NMUR1NTSR2NTSR1
SCHEMBL3817152 0.84 OPRM1 (0.61) OPRK1OPRM1OPRD1F2
SCHEMBL20173733 0.83 NMUR2 (0.54) OPRK1NMUR2NMUR1OPRM1OPRD1
SCHEMBL10302843 0.82 SLC6A2 (0.60) OPRK1OPRM1OPRD1SLC6A2
SCHEMBL20174119 0.82 MMP3 (0.59) OPRK1NMUR2NMUR1OPRM1NTSR2
SCHEMBL32670190 0.81 OPRK1 (0.61) OPRK1NMUR2NMUR1OPRD1
SCHEMBL29899058 0.81 OPRK1 (0.62) OPRK1
SCHEMBL31553199 0.81 SLC6A2 (0.60) OPRK1OPRM1OPRD1SLC6A2
SCHEMBL31384596 0.80 OPRK1 (0.65) OPRK1SLC6A2

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
WO-2018094335-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-24 WO disclosed