SCHEMBL7780983

SCHEMBL7780983

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.41
OPRM1 P35372 7/20 0.38
OPRK1 P41145 6/20 0.38
CXCR4 P61073 1/20 0.38
F2 P00734 3/20 0.38
NMUR2 Q9GZQ4 1/20 0.36
NMUR1 Q9HB89 1/20 0.36
PRSS1 P07477 2/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL7785522 0.90 OPRM1 (0.43) EPHA2OPRM1OPRK1CXCR4
SCHEMBL10377176 0.89 EPHA2 (0.49) EPHA2OPRM1OPRK1CXCR4
SCHEMBL7786086 0.89 OPRM1 (0.45) EPHA2OPRM1OPRK1CXCR4F2
SCHEMBL10533153 0.87 EPHA2 (0.49) EPHA2OPRM1OPRK1CXCR4
SCHEMBL23034489 0.85 F2 (0.40) OPRM1OPRK1F2PRSS1F10
SCHEMBL8606332 0.85 OPRM1 (0.44) EPHA2OPRM1OPRK1CXCR4F2
SCHEMBL7780965 0.85 NMUR2 (0.43) EPHA2OPRM1OPRK1NMUR2NMUR1
SCHEMBL31124690 0.82 OPRM1 (0.43) EPHA2OPRM1OPRK1CXCR4NMUR2
SCHEMBL31437194 0.81 ACE (0.42) EPHA2OPRM1OPRK1CXCR4
SCHEMBL9450491 0.81 OPRM1 (0.46) EPHA2OPRM1F2NMUR2NMUR1

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