SCHEMBL7295361

SCHEMBL7295361

CC(C)(c1ccccc1)C(NC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CTSS P25774 10/20 0.47
▸ PKM P14618 1/20 0.47
▸ TACR1 P25103 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
SCHEMBL9417277 1.00 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C9CYP2C19GAAMAPT
SCHEMBL9417280 1.00 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C9CYP2C19GAAMAPT
SCHEMBL7302364 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C9CYP2C19GAAMAPT
SCHEMBL7302374 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C9CYP2C19GAAMAPT
SCHEMBL7302367 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C9CYP2C19GAAMAPT
SCHEMBL10337293 0.77 CTSS (0.41) SMN1; SMN2CTSS
SCHEMBL8909123 0.76 CYP2C9 (0.52) SMN1; SMN2CYP2C9CYP2C19GAAMAPT
SCHEMBL11924818 0.76 CYP2C9 (0.52) SMN1; SMN2CYP2C9CYP2C19GAAMAPT
SCHEMBL2778137 0.74 CYP2C9 (0.54) SMN1; SMN2CYP2C9CYP2C19GAAMAPT
SCHEMBL15310565 0.74 CYP2C9 (0.54) SMN1; SMN2CYP2C9CYP2C19GAAMAPT

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 13 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
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
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 — — EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 — — US 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
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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