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SCHEMBL9542387

SCHEMBL9542387

N=C(N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.64
▸ OPRD1 P41143 3/20 0.64
▸ NPFFR1 Q9GZQ6 2/20 0.64
▸ NPFFR2 Q9Y5X5 2/20 0.64
▸ NMUR2 Q9GZQ4 4/20 0.52
▸ NMUR1 Q9HB89 4/20 0.52
▸ EPHA2 P29317 2/20 0.50
▸ NTSR1 P30989 3/20 0.49
▸ NTSR2 O95665 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
SCHEMBL9540952 0.89 NTSR1 (0.65) NTSR1NTSR2
SCHEMBL9540901 0.88 NTSR1 (0.64) NTSR1NTSR2
SCHEMBL32664435 0.87 NTSR2 (0.58) OPRM1OPRD1NPFFR1NPFFR2NTSR1
SCHEMBL29769812 0.85 EPHA2 (0.56) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL31676699 0.85 OPRM1 (0.57) OPRM1OPRD1NPFFR1NPFFR2NTSR1
SCHEMBL29629297 0.84 EPHA2 (0.51) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL31410880 0.84 OPRM1 (0.58) OPRM1OPRD1NPFFR1NPFFR2NMUR2
SCHEMBL8382316 0.84 OPRM1 (0.48) OPRM1OPRD1NPFFR1NPFFR2NMUR2
SCHEMBL29496918 0.84 SLC6A2 (0.57) OPRM1OPRD1NMUR2NMUR1EPHA2
SCHEMBL29496917 0.84 SLC6A2 (0.57) OPRM1OPRD1NMUR2NMUR1EPHA2

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-1993000359-A1 MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-07 — — WO disclosed