SCHEMBL7780969

SCHEMBL7780969

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@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.43
OPRM1 P35372 7/20 0.43
OPRK1 P41145 7/20 0.43
IL23R Q5VWK5 1/20 0.40
CTSB P07858 1/20 0.40
RAMP3 O60896 2/20 0.40
CALCR P30988 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
KISS1R Q969F8 2/20 0.39
APLNR P35414 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
SCHEMBL7789919 0.94 OPRM1 (0.43) CAPN1OPRM1OPRK1IL23RAPLNR
SCHEMBL8896882 0.91 OPRM1 (0.47) OPRM1OPRK1APLNR
SCHEMBL7785528 0.90 OPRM1 (0.45) CAPN1OPRM1OPRK1RAMP3CALCR
SCHEMBL7785514 0.87 EPHA2 (0.46) OPRM1OPRK1APLNR
SCHEMBL30658582 0.83 XIAP (0.45) CAPN1OPRM1OPRK1CTSBRAMP3
SCHEMBL7789924 0.81 OPRM1 (0.48) OPRM1OPRK1
SCHEMBL16351202 0.81 OPRM1 (0.49) CAPN1OPRM1OPRK1RAMP3CALCR
SCHEMBL29871917 0.80 OPRM1 (0.46) OPRM1OPRK1RAMP3CALCR
SCHEMBL9807242 0.80 OPRM1 (0.42) CAPN1OPRM1OPRK1APLNR
SCHEMBL31437164 0.79 APLNR (0.52) OPRM1OPRK1IL23RAPLNR

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