SCHEMBL7785522

SCHEMBL7785522

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
EPHA2 P29317 2/20 0.40
NRP1 O14786 2/20 0.40
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
XIAP P98170 1/20 0.38
NTSR2 O95665 1/20 0.38
NTSR1 P30989 1/20 0.38
SORT1 Q99523 1/20 0.38
CXCR4 P61073 1/20 0.38

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
SCHEMBL7780983 0.90 EPHA2 (0.41) OPRM1EPHA2OPRK1CXCR4
SCHEMBL10378950 0.89 EPHA2 (0.48) OPRM1EPHA2OPRD1OPRK1XIAP
SCHEMBL31487190 0.88 NRP1 (0.47) OPRM1NRP1XIAPNTSR2NTSR1
SCHEMBL29853254 0.88 NRP1 (0.47) OPRM1NRP1XIAPNTSR2NTSR1
SCHEMBL7786086 0.88 OPRM1 (0.45) OPRM1EPHA2OPRK1CXCR4
SCHEMBL7788531 0.87 CXCR4 (0.45) OPRM1EPHA2NRP1XIAPNTSR2
SCHEMBL31467762 0.87 OPRM1 (0.44) OPRM1EPHA2DPP4OPRD1OPRK1
SCHEMBL9450491 0.87 OPRM1 (0.46) OPRM1EPHA2NRP1DPP4XIAP
SCHEMBL29416313 0.86 OPRM1 (0.41) OPRM1EPHA2NRP1OPRK1NTSR2
SCHEMBL8969918 0.86 EPHA2 (0.49) OPRM1EPHA2XIAPNTSR2NTSR1

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 7 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
US-5639729-A NERVOUS SYSTEM DISORDERS IMMUNOBIOLOGY RESEARCH INSTITUTE, INC. (US) 1997-06-17 US disclosed