SCHEMBL9876266

SCHEMBL9876266

COC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSB P07858 2/20 0.54
▸ CTSL P07711 1/20 0.54
▸ KLK5 Q9Y337 1/20 0.54
▸ REN P00797 4/20 0.52
▸ AKT1 P31749 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CCKAR P32238 2/20 0.49
▸ CCKBR P32239 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ACE P12821 1/20 0.48
▸ SCN9A Q15858 1/20 0.47

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
SCHEMBL27335662 1.00 CTSS (0.54) CTSSCTSKCTSBCTSLKLK5
SCHEMBL7351751 1.00 CTSS (0.54) CTSSCTSKCTSBCTSLKLK5
SCHEMBL9551282 1.00 CTSS (0.54) CTSSCTSKCTSBCTSLKLK5
SCHEMBL23598225 0.92 ACE (0.57) CTSSCTSKCTSBCTSLREN
SCHEMBL10522069 0.92 ACE (0.57) CTSSCTSKCTSBCTSLREN
SCHEMBL7300127 0.92 ACE (0.57) CTSSCTSKCTSBCTSLREN
SCHEMBL30386785 0.92 CTSS (0.55) CTSSCTSKCTSBCTSLKLK5
SCHEMBL28584347 0.92 CTSS (0.55) CTSSCTSKCTSBCTSLKLK5
SCHEMBL10436055 0.92 CTSS (0.55) CTSSCTSKCTSBCTSLKLK5
SCHEMBL9551349 0.91 KLK5 (0.48) CTSSCTSKCTSBCTSLKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 — — US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 — — US disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 — — US disclosed
CN-86105870-A Band 5-amino-2, the blood vessel tension peptide protoenzyme inhibitor of 5-two replacement-4-hydroxypentanoic acid bases — 1987-03-11 — — CN disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 — — EP disclosed
Send feedback