SCHEMBL7780965

SCHEMBL7780965

CCCCCC(=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 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 8/20 0.43
NMUR1 Q9HB89 8/20 0.43
EPHA2 P29317 4/20 0.43
APLNR P35414 2/20 0.42
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
ACE P12821 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 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
SCHEMBL7780971 0.90 EPHA2 (0.47) NMUR2NMUR1EPHA2APLNRMAPK8
SCHEMBL7786086 0.88 OPRM1 (0.45) EPHA2APLNROPRM1OPRK1
SCHEMBL27508582 0.86 APLNR (0.51) NMUR2NMUR1APLNROPRM1OPRK1
SCHEMBL7780983 0.85 EPHA2 (0.41) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL30716923 0.84 NMUR2 (0.51) NMUR2NMUR1APLNRMAPK8MAPK9
SCHEMBL30716922 0.84 NMUR2 (0.51) NMUR2NMUR1APLNRMAPK8MAPK9
SCHEMBL8606332 0.84 OPRM1 (0.44) EPHA2APLNROPRM1OPRK1
SCHEMBL7785522 0.83 OPRM1 (0.43) EPHA2OPRM1OPRK1
SCHEMBL29607434 0.83 NMUR2 (0.57) NMUR2NMUR1APLNRMAPK8MAPK9
SCHEMBL1163309 0.83 NMUR2 (0.51) NMUR2NMUR1APLNR

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