SCHEMBL7789919

SCHEMBL7789919

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.43
OPRK1 P41145 9/20 0.43
EPHA2 P29317 2/20 0.41
APLNR P35414 1/20 0.39
IL23R Q5VWK5 1/20 0.39
CAPN1 P07384 2/20 0.39
AKT1 P31749 3/20 0.39
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 1/20 0.38

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
SCHEMBL7780969 0.94 CAPN1 (0.43) OPRM1OPRK1APLNRIL23RCAPN1
SCHEMBL8896882 0.91 OPRM1 (0.47) OPRM1OPRK1EPHA2APLNR
SCHEMBL7785528 0.90 OPRM1 (0.45) OPRM1OPRK1EPHA2APLNRCAPN1
SCHEMBL7785514 0.88 EPHA2 (0.46) OPRM1OPRK1EPHA2APLNR
SCHEMBL29871917 0.86 OPRM1 (0.46) OPRM1OPRK1EPHA2AKT1
SCHEMBL10435105 0.83 EPHA2 (0.51) OPRM1OPRK1EPHA2
SCHEMBL29391116 0.82 EPHA2 (0.45) OPRM1OPRK1EPHA2
SCHEMBL29630472 0.82 XIAP (0.45) OPRM1OPRK1EPHA2
SCHEMBL7789924 0.82 OPRM1 (0.48) OPRM1OPRK1EPHA2
SCHEMBL10434942 0.81 OPRM1 (0.46) OPRM1OPRK1EPHA2IL23R

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 8 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
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
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