SCHEMBL7266563

SCHEMBL7266563

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.43
BIRC2 Q13490 1/20 0.43
REN P00797 2/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CAPN1 P07384 2/20 0.42
PSMB1 P20618 1/20 0.41
CTSS P25774 2/20 0.40
CAPN9 O14815 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL7769892 0.94 PPID (0.42) CTSK
SCHEMBL7274083 0.84 REN (0.61) CTSKRENMMP2CAPN1CTSL
SCHEMBL7883345 0.80 SMN1; SMN2 (0.45) CTSKCTSSCTSLCTSB
SCHEMBL6900424 0.80 PPID (0.50) CTSKBIRC2
SCHEMBL7278916 0.79 RAB9A (0.42)
SCHEMBL7278909 0.79 RAB9A (0.42)
SCHEMBL7770030 0.79 KCNA5 (0.40) CTSKCTSSCTSLCTSB
SCHEMBL9830039 0.78 ALDH1A1 (0.58)
SCHEMBL30493601 0.78 ALDH1A1 (0.58) RENMMP2MMP9MMP8PTPN1
SCHEMBL14932683 0.78 ALDH1A1 (0.58) RENMMP2MMP9MMP8PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed