SCHEMBL10901745

SCHEMBL10901745

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 1/20 0.51
NPFFR1 Q9GZQ6 2/20 0.51
NPFFR2 Q9Y5X5 2/20 0.51
F2 P00734 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
SCHEMBL10901907 0.93 OPRM1 (0.48) OPRM1OPRD1OPRK1NPFFR1NPFFR2
SCHEMBL17439162 0.92 OPRM1 (0.49) OPRM1OPRD1OPRK1NPFFR1NPFFR2
SCHEMBL2778544 0.89 F2 (0.57) OPRM1OPRD1OPRK1NPFFR1NPFFR2
SCHEMBL6497247 0.89 F2 (0.57) OPRM1OPRD1OPRK1NPFFR1NPFFR2
SCHEMBL2778546 0.89 F2 (0.57) OPRM1OPRD1OPRK1NPFFR1NPFFR2
SCHEMBL2119635 0.89 F2 (0.57) OPRM1OPRD1OPRK1NPFFR1NPFFR2
SCHEMBL6850160 0.89 F2 (0.57) OPRM1OPRD1OPRK1NPFFR1NPFFR2
SCHEMBL11278226 0.89 OPRM1 (0.47) OPRM1OPRD1OPRK1NPFFR1NPFFR2
SCHEMBL24195743 0.89 OPRM1 (0.52) OPRM1OPRD1OPRK1NPFFR1NPFFR2
SCHEMBL29610294 0.88 OPRM1 (0.54) OPRM1OPRD1OPRK1NPFFR1NPFFR2

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
US-4563305-A QUANTITATIVE ANALYSIS UNIVERSITY OF MIAMI (US) 1986-01-07 US disclosed
EP-0056015-A1 Radiolabelled substrates for assaying mammalian enzymes Ryan, James Walter (US) 1982-07-14 EP disclosed