SCHEMBL7274083

SCHEMBL7274083

CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.61
CAPN1 P07384 2/20 0.59
PTPN1 P18031 1/20 0.57
CTSL P07711 1/20 0.56
MMP1 P03956 3/20 0.56
MMP2 P08253 1/20 0.56
MMP3 P08254 1/20 0.56
FCER2 P06734 2/20 0.55
HTRA1 Q92743 1/20 0.53
CTSK P43235 1/20 0.53

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
SCHEMBL7266645 0.91 CAPN1 (0.62) CAPN1CTSLHTRA1CTSK
SCHEMBL9417332 0.88 REN (0.58) RENCAPN1PTPN1CTSLMMP1
SCHEMBL9417293 0.87 REN (0.57) RENCAPN1PTPN1CTSLMMP1
SCHEMBL9417292 0.87 REN (0.57) RENCAPN1PTPN1CTSLMMP1
SCHEMBL21786578 0.87 PTPN1 (0.66) RENCAPN1PTPN1CTSLHTRA1
SCHEMBL10801015 0.86 CTSL (0.54) RENCTSLMMP1FCER2CTSK
SCHEMBL31705215 0.86 CAPN1 (0.74) RENCAPN1PTPN1CTSLHTRA1
SCHEMBL7302253 0.85 FCER2 (0.61) RENPTPN1MMP1MMP2MMP3
SCHEMBL8897141 0.85 REN (0.81) RENCTSLMMP1MMP2MMP3
SCHEMBL30140924 0.85 REN (0.81) RENCTSLMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 EP disclosed
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 WO disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US disclosed
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 EP disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 WO disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed