SCHEMBL7275396

SCHEMBL7275396

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ACE P12821 4/20 0.55
CPA1 P15085 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.52
PTPN1 P18031 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 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
SCHEMBL7278010 1.00 MME (0.56) MMELMNATDP1L3MBTL1ACE
SCHEMBL7266059 0.84 TACR1 (0.56) ACEALDH1A1HSD17B10
SCHEMBL16195620 0.84 MME (0.58) MMELMNAL3MBTL1ACECPA1
SCHEMBL1696507 0.81 MME (0.67) MMEL3MBTL1ACECPA1ACE2
SCHEMBL547222 0.81 MME (0.67) MMEL3MBTL1ACECPA1ACE2
SCHEMBL547223 0.81 MME (0.67) MMEL3MBTL1ACECPA1ACE2
SCHEMBL7272209 0.81 MME (0.57) MMELMNAL3MBTL1ACECPA1
SCHEMBL8016965 0.80 MME (0.63) MMEL3MBTL1ACECPA1ACE2
SCHEMBL8016970 0.80 MME (0.63) MMEL3MBTL1ACECPA1ACE2
SCHEMBL7356137 0.80 MME (0.51) MMELMNATDP1L3MBTL1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980374-A1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PARKE-DAVIS (FR) 2000-02-23 EP disclosed
WO-1998049169-A1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PARKE-DAVIS (FR) 1998-11-05 WO disclosed
US-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 WO disclosed
US-4963530-A Renin inhibitor peptide compounds, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed
EP-0283970-A2 New peptide compounds, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-28 EP disclosed