SCHEMBL9417293

SCHEMBL9417293

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.57
CTSL P07711 1/20 0.55
CAPN1 P07384 2/20 0.55
PTPN1 P18031 1/20 0.54
MMP1 P03956 3/20 0.52
MMP2 P08253 1/20 0.52
MMP3 P08254 1/20 0.52
FCER2 P06734 2/20 0.51
HTRA1 Q92743 1/20 0.50

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
SCHEMBL7274083 0.87 REN (0.61) RENCTSLCAPN1PTPN1MMP1
SCHEMBL9417332 0.86 REN (0.58) RENCTSLCAPN1PTPN1MMP1
SCHEMBL21786578 0.83 PTPN1 (0.66) RENCTSLCAPN1PTPN1HTRA1
SCHEMBL9417292 0.83 REN (0.57) RENCTSLCAPN1PTPN1MMP1
SCHEMBL31705215 0.82 CAPN1 (0.74) RENCTSLCAPN1PTPN1HTRA1
SCHEMBL7302253 0.81 FCER2 (0.61) RENPTPN1MMP1MMP2MMP3
SCHEMBL30140924 0.81 REN (0.81) RENCTSLMMP1MMP2MMP3
SCHEMBL8897141 0.81 REN (0.81) RENCTSLMMP1MMP2MMP3
SCHEMBL242142 0.81 FCER2 (0.60) RENMMP1MMP2MMP3FCER2
SCHEMBL242141 0.81 FCER2 (0.60) RENMMP1MMP2MMP3FCER2

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-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
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 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-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed