SCHEMBL7780971

SCHEMBL7780971

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 3/20 0.47
CXCR4 P61073 1/20 0.44
NMUR2 Q9GZQ4 8/20 0.44
NMUR1 Q9HB89 8/20 0.44
APLNR P35414 2/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
RAMP3 O60896 5/20 0.41
CALCR P30988 5/20 0.41

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
SCHEMBL7780965 0.90 NMUR2 (0.43) EPHA2NMUR2NMUR1APLNRMAPK8
SCHEMBL7785514 0.89 EPHA2 (0.46) EPHA2CXCR4APLNR
SCHEMBL7788531 0.86 CXCR4 (0.45) EPHA2CXCR4
SCHEMBL30716922 0.84 NMUR2 (0.51) NMUR2NMUR1APLNRMAPK8MAPK9
SCHEMBL30716923 0.84 NMUR2 (0.51) NMUR2NMUR1APLNRMAPK8MAPK9
SCHEMBL27508582 0.83 APLNR (0.51) NMUR2NMUR1APLNR
SCHEMBL29607434 0.83 NMUR2 (0.57) NMUR2NMUR1APLNRMAPK8MAPK9
SCHEMBL7785528 0.81 OPRM1 (0.45) EPHA2CXCR4NMUR2NMUR1APLNR
SCHEMBL7789924 0.81 OPRM1 (0.48) EPHA2CXCR4NMUR2NMUR1
SCHEMBL29564518 0.81 APLNR (0.47) EPHA2NMUR2NMUR1APLNRMAPK8

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