SCHEMBL7290442

SCHEMBL7290442

COC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MMP8 P22894 1/20 0.51
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
FKBP1A P62942 1/20 0.46
TP53 P04637 1/20 0.46
CTSS P25774 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.45
EPHX1 P07099 1/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL7290435 1.00 KMT2A (0.56) KMT2AMEN1NPSR1MMP8POLB
SCHEMBL9358799 0.88 KMT2A (0.67) KMT2AMEN1NPSR1MMP8POLB
SCHEMBL7326296 0.88 KMT2A (0.67) KMT2AMEN1NPSR1MMP8POLB
SCHEMBL7287129 0.87 KMT2A (0.58) KMT2AMEN1NPSR1MMP8SMN1; SMN2
SCHEMBL7287136 0.87 KMT2A (0.58) KMT2AMEN1NPSR1MMP8SMN1; SMN2
SCHEMBL9740018 0.85 DPP4 (0.45) POLBGFERSMN1; SMN2KDM4ENPC1
SCHEMBL9417297 0.85 SMN1; SMN2 (0.54) KMT2AMEN1NPSR1MMP8POLB
SCHEMBL7437832 0.85 KMT2A (0.56) KMT2AMEN1NPSR1MMP8POLB
SCHEMBL7437830 0.85 KMT2A (0.56) KMT2AMEN1NPSR1MMP8POLB
SCHEMBL9354580 0.83 KMT2A (0.62) KMT2AMEN1NPSR1MMP8POLB

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 21 patents — showing the first 20. 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-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US disclosed
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 EP 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
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 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-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed