SCHEMBL9417266

SCHEMBL9417266

NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.53
▸ CTSL P07711 4/20 0.52
▸ CTSB P07858 4/20 0.52
▸ TACR2 P21452 3/20 0.47
▸ PSMB11 A5LHX3 2/20 0.46
▸ PSMA7 O14818 2/20 0.46
▸ PSMB1 P20618 2/20 0.46
▸ PSMA1 P25786 2/20 0.46
▸ PSMA2 P25787 2/20 0.46
▸ PSMA3 P25788 2/20 0.46
▸ PSMA4 P25789 2/20 0.46
▸ PSMB8 P28062 2/20 0.46
▸ PSMB9 P28065 2/20 0.46
▸ PSMA5 P28066 2/20 0.46
▸ PSMB4 P28070 2/20 0.46
▸ PSMB6 P28072 2/20 0.46
▸ PSMB5 P28074 2/20 0.46
▸ PSMB10 P40306 2/20 0.46
▸ PSMB3 P49720 2/20 0.46
▸ PSMB2 P49721 2/20 0.46

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
SCHEMBL7441871 1.00 CTSS (0.53) CTSSCTSLCTSBTACR2PSMB11
SCHEMBL10555105 0.93 CTSL (0.56) CTSSCTSLCTSBTACR2PSMB11
SCHEMBL9417286 0.90 QRFPR (0.46) CTSSCTSLCTSBPOLBCTSK
SCHEMBL7908157 0.87 CTSL (0.39) CTSSCTSLCTSBTACR2PSMB11
SCHEMBL26019659 0.87 CTSL (0.39) CTSSCTSLCTSBTACR2PSMB11
SCHEMBL9417413 0.86 REN (0.51) CTSSCTSL
SCHEMBL7290351 0.86 REN (0.51) CTSSCTSL
SCHEMBL7431573 0.86 KMT2A (0.43) CTSLPOLB
SCHEMBL9417281 0.86 CTSL (0.46) CTSSCTSLCTSBPOLB
SCHEMBL9417433 0.86 MMP8 (0.45) CTSSCTSLCTSBTACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 — — EP 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
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
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 — — EP 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-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 — — EP disclosed
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