SCHEMBL7785528

SCHEMBL7785528

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.45
OPRK1 P41145 8/20 0.45
EPHA2 P29317 2/20 0.44
CXCR4 P61073 1/20 0.43
CAPN1 P07384 5/20 0.43
APLNR P35414 1/20 0.41
NMUR2 Q9GZQ4 1/20 0.41
NMUR1 Q9HB89 1/20 0.41
RAMP3 O60896 2/20 0.40
CALCR P30988 2/20 0.40

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
SCHEMBL7785514 0.92 EPHA2 (0.46) OPRM1OPRK1EPHA2CXCR4APLNR
SCHEMBL8896882 0.92 OPRM1 (0.47) OPRM1OPRK1EPHA2CXCR4APLNR
SCHEMBL7789919 0.90 OPRM1 (0.43) OPRM1OPRK1EPHA2CAPN1APLNR
SCHEMBL7780969 0.90 CAPN1 (0.43) OPRM1OPRK1CAPN1APLNRRAMP3
SCHEMBL7789924 0.84 OPRM1 (0.48) OPRM1OPRK1EPHA2CXCR4NMUR2
SCHEMBL30185759 0.84 APLNR (0.48) OPRM1OPRK1EPHA2APLNRNMUR2
SCHEMBL22300346 0.82 OPRM1 (0.51) OPRM1OPRK1CAPN1APLNRNMUR2
SCHEMBL7786086 0.82 OPRM1 (0.45) OPRM1OPRK1EPHA2CXCR4APLNR
SCHEMBL29451974 0.82 OPRM1 (0.52) OPRM1OPRK1APLNR
SCHEMBL7788531 0.82 CXCR4 (0.45) OPRM1EPHA2CXCR4

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