SCHEMBL6234806

SCHEMBL6234806

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 5/20 0.56
▸ CCKAR P32238 4/20 0.56
▸ ERAP2 Q6P179 2/20 0.56
▸ MMP2 P08253 2/20 0.55
▸ MMP9 P14780 2/20 0.55
▸ MMP8 P22894 2/20 0.55
▸ ERAP1 Q9NZ08 1/20 0.53
▸ LNPEP Q9UIQ6 1/20 0.53
▸ OPRD1 P41143 1/20 0.52
▸ ACE P12821 2/20 0.52
▸ PPARG P37231 1/20 0.52
▸ GHSR Q92847 3/20 0.52
▸ ECE1 P42892 1/20 0.51

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
SCHEMBL27462135 0.93 ERAP2 (0.60) CCKBRCCKARERAP2MMP2MMP9
SCHEMBL27462136 0.93 ERAP2 (0.60) CCKBRCCKARERAP2MMP2MMP9
SCHEMBL28478871 0.88 ACE (0.64) MMP2MMP9MMP8ACEPPARG
SCHEMBL21001587 0.86 MEN1 (0.64) ACEPPARG
SCHEMBL25189279 0.86 MEN1 (0.64) ACEPPARG
SCHEMBL25264480 0.86 MEN1 (0.64) ACEPPARG
SCHEMBL25183154 0.86 MEN1 (0.64) ACEPPARG
SCHEMBL22206848 0.86 MEN1 (0.64) ACEPPARG
SCHEMBL21001123 0.86 MEN1 (0.64) ACEPPARG
SCHEMBL25264926 0.86 MEN1 (0.64) ACEPPARG

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0615522-B1 MURAMYL COMPOUNDS FOR TREATMENT OF SEPTIC SHOCK PEPTECH UK LTD (GB) 1999-09-22 — — EP claimed
EP-0768888-A1 USE OF MURAMYL PEPTIDE COMPOUNDS PEPTECH (UK) LIMITED (GB) 1997-04-23 — — EP claimed
WO-1996001645-A1 USE OF MURAMYL PEPTIDE COMPOUNDS PEPTECH(UK) LIMITED (GB) 1996-01-25 — — WO claimed
EP-0615522-A1 MURAMYL COMPOUNDS FOR TREATMENT OF SEPTIC SHOCK PEPTECH (UK) LIMITED (GB) 1994-09-21 — — EP claimed
WO-1993010148-A1 MURAMYL COMPOUNDS FOR TREATMENT OF SEPTIC SHOCK PEPTECH (UK) LIMITED (GB) 1993-05-27 — — WO claimed
WO-2005007676-A2 GLYCOPEPTIDES FOR THE TREATMENT OF ALS AND OTHER METABOLIC AND AUTOIMMUNE DISORDERS RAJADHYAKSHA V J (US) 2005-01-27 — — WO disclosed
EP-0782454-A1 USE OF MURAMYL PEPTIDE COMPOUNDS PEPTECH (UK) (GB) 1997-07-09 — — EP disclosed
EP-0768888-A1 USE OF MURAMYL PEPTIDE COMPOUNDS PEPTECH (UK) LIMITED (GB) 1997-04-23 — — EP disclosed
EP-0722332-A1 COMPOUNDS FOR MEDICINAL USE PEPTECH (UK) LIMITED (GB) 1996-07-24 — — EP disclosed
WO-1996009063-A1 USE OF MURAMYL PEPTIDE COMPOUNDS PEPTECH(UK) LIMITED (GB) 1996-03-28 — — WO disclosed
WO-1996001645-A1 USE OF MURAMYL PEPTIDE COMPOUNDS PEPTECH(UK) LIMITED (GB) 1996-01-25 — — WO disclosed
WO-1995010293-A1 COMPOUNDS FOR MEDICINAL USE PEPTECH (UK) LIMITED (GB) 1995-04-20 — — WO disclosed
WO-1993010148-A1 MURAMYL COMPOUNDS FOR TREATMENT OF SEPTIC SHOCK PEPTECH (UK) LIMITED (GB) 1993-05-27 — — WO disclosed
Send feedback