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SCHEMBL10901907

SCHEMBL10901907

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)NC(=O)c1cccc(I)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.48
▸ OPRK1 P41145 7/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ F2 P00734 1/20 0.47
▸ NPFFR1 Q9GZQ6 2/20 0.47
▸ NPFFR2 Q9Y5X5 2/20 0.47

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
SCHEMBL10901745 0.93 OPRM1 (0.51) OPRM1OPRK1OPRD1F2NPFFR1
SCHEMBL17439162 0.90 OPRM1 (0.49) OPRM1OPRK1OPRD1F2NPFFR1
SCHEMBL6497247 0.84 F2 (0.57) OPRM1OPRK1OPRD1F2NPFFR1
SCHEMBL2778544 0.84 F2 (0.57) OPRM1OPRK1OPRD1F2NPFFR1
SCHEMBL2778546 0.84 F2 (0.57) OPRM1OPRK1OPRD1F2NPFFR1
SCHEMBL2119635 0.84 F2 (0.57) OPRM1OPRK1OPRD1F2NPFFR1
SCHEMBL6850160 0.84 F2 (0.57) OPRM1OPRK1OPRD1F2NPFFR1
SCHEMBL11278226 0.84 OPRM1 (0.47) OPRM1OPRK1OPRD1F2NPFFR1
SCHEMBL29610294 0.83 OPRM1 (0.54) OPRM1OPRK1OPRD1F2NPFFR1
SCHEMBL30974592 0.82 F2 (0.58) OPRM1OPRK1OPRD1F2NPFFR1

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