SCHEMBL7786086

SCHEMBL7786086

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.45
OPRK1 P41145 8/20 0.45
EPHA2 P29317 3/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
APLNR P35414 1/20 0.39
CXCR4 P61073 2/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL8606332 0.95 OPRM1 (0.44) OPRM1OPRK1EPHA2ITGB3ITGA2B
SCHEMBL7789924 0.91 OPRM1 (0.48) OPRM1OPRK1EPHA2ITGB3ITGA2B
SCHEMBL10435105 0.90 EPHA2 (0.51) OPRM1OPRK1EPHA2CXCR4
SCHEMBL7780983 0.89 EPHA2 (0.41) OPRM1OPRK1EPHA2CXCR4F2
SCHEMBL8606219 0.89 OPRM1 (0.45) OPRM1OPRK1EPHA2ITGB3ITGA2B
SCHEMBL7785514 0.89 EPHA2 (0.46) OPRM1OPRK1EPHA2ITGB3ITGA2B
SCHEMBL7780965 0.88 NMUR2 (0.43) OPRM1OPRK1EPHA2APLNR
SCHEMBL7785522 0.88 OPRM1 (0.43) OPRM1OPRK1EPHA2CXCR4
SCHEMBL10378610 0.87 EPHA2 (0.49) OPRM1OPRK1EPHA2CXCR4
SCHEMBL29451974 0.85 OPRM1 (0.52) OPRM1OPRK1ITGB3ITGA2BAPLNR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723454-B1 NOVEL TRIPEPTIDES USEFUL IN IMMUNE AND CNS THERAPY GOLDSTEIN GIDEON (US) 2001-10-31 EP claimed
EP-0723454-A4 NOVEL TRIPEPTIDES USEFUL IN IMMUNE AND CNS THERAPY IMMUNOBIOLOGY RES INST INC (US) 1998-07-29 EP claimed
US-5639729-A NERVOUS SYSTEM DISORDERS IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1997-06-17 US claimed
EP-0723454-A1 NOVEL TRIPEPTIDES USEFUL IN IMMUNE AND CNS THERAPY Goldstein, Gideon (US) 1996-07-31 EP claimed
WO-1995005841-A1 NOVEL TRIPEPTIDES USEFUL IN IMMUNE AND CNS THERAPY IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1995-03-02 WO claimed
EP-0723454-B1 NOVEL TRIPEPTIDES USEFUL IN IMMUNE AND CNS THERAPY GOLDSTEIN GIDEON (US) 2001-10-31 EP disclosed
EP-0723454-A4 NOVEL TRIPEPTIDES USEFUL IN IMMUNE AND CNS THERAPY IMMUNOBIOLOGY RES INST INC (US) 1998-07-29 EP disclosed
US-5639729-A NERVOUS SYSTEM DISORDERS IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1997-06-17 US disclosed
EP-0723454-A1 NOVEL TRIPEPTIDES USEFUL IN IMMUNE AND CNS THERAPY Goldstein, Gideon (US) 1996-07-31 EP disclosed
WO-1995005841-A1 NOVEL TRIPEPTIDES USEFUL IN IMMUNE AND CNS THERAPY IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1995-03-02 WO disclosed