SCHEMBL7785535

SCHEMBL7785535

CC(C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTSR2 O95665 2/20 0.42
NTSR1 P30989 2/20 0.42
SORT1 Q99523 2/20 0.42
ACE P12821 2/20 0.42
REN P00797 1/20 0.42
OPRM1 P35372 1/20 0.42
GRB2 P62993 1/20 0.41
EPHA2 P29317 1/20 0.41
PLK1 P53350 1/20 0.41
RAMP3 O60896 3/20 0.41
CALCR P30988 3/20 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
SCHEMBL10378224 0.89 EPHA2 (0.48) NTSR2NTSR1SORT1EPHA2
SCHEMBL29695570 0.88 F2 (0.52) NTSR2NTSR1SORT1OPRM1GRB2
SCHEMBL30242221 0.88 RAMP3 (0.44) RAMP3CALCR
SCHEMBL30198664 0.87 DPP4 (0.45) NTSR2NTSR1SORT1ACEREN
SCHEMBL31099291 0.87 GRB2 (0.49) NTSR2NTSR1SORT1OPRM1GRB2
SCHEMBL30799320 0.87 RAMP3 (0.50) NTSR2NTSR1SORT1OPRM1GRB2
SCHEMBL8969918 0.86 EPHA2 (0.49) NTSR2NTSR1SORT1OPRM1GRB2
SCHEMBL32677398 0.86 CXCR4 (0.47) NTSR2NTSR1SORT1OPRM1GRB2
SCHEMBL32677400 0.86 CXCR4 (0.47) NTSR2NTSR1SORT1OPRM1GRB2
SCHEMBL32677417 0.86 CXCR4 (0.47) NTSR2NTSR1SORT1OPRM1GRB2

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