SCHEMBL7788531

SCHEMBL7788531

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.45
▸ EPHA2 P29317 3/20 0.44
▸ OPRM1 P35372 2/20 0.42
▸ NTSR2 O95665 4/20 0.41
▸ NTSR1 P30989 4/20 0.41
▸ SORT1 Q99523 4/20 0.41
▸ NRP1 O14786 2/20 0.40
▸ XIAP P98170 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
SCHEMBL7785514 0.90 EPHA2 (0.46) CXCR4EPHA2OPRM1
SCHEMBL8969918 0.88 EPHA2 (0.49) CXCR4EPHA2OPRM1NTSR2NTSR1
SCHEMBL10378224 0.87 EPHA2 (0.48) EPHA2NTSR2NTSR1SORT1XIAP
SCHEMBL10378950 0.87 EPHA2 (0.48) CXCR4EPHA2OPRM1NTSR2NTSR1
SCHEMBL7785522 0.87 OPRM1 (0.43) CXCR4EPHA2OPRM1NTSR2NTSR1
SCHEMBL31303183 0.86 NRP1 (0.52) CXCR4EPHA2OPRM1NTSR2NTSR1
SCHEMBL7785535 0.86 NTSR2 (0.42) EPHA2OPRM1NTSR2NTSR1SORT1
SCHEMBL8970642 0.86 EPHA2 (0.47) EPHA2NTSR2NTSR1SORT1NRP1
SCHEMBL7780971 0.86 EPHA2 (0.47) CXCR4EPHA2
SCHEMBL9508406 0.84 EPHA2 (0.41) CXCR4EPHA2OPRM1NTSR2NTSR1

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 4 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 disclosed
EP-0723454-A4 NOVEL TRIPEPTIDES USEFUL IN IMMUNE AND CNS THERAPY IMMUNOBIOLOGY RES INST INC (US) 1998-07-29 — — EP 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
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