SCHEMBL9417383

SCHEMBL9417383

NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35

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
SCHEMBL7290351 0.85 REN (0.51) RENMMP8CTSLCTSS
SCHEMBL9417413 0.85 REN (0.51) RENMMP8CTSLCTSS
SCHEMBL7302163 0.82 REN (0.48) RENMEN1KMT2AMMP8
SCHEMBL7441871 0.79 CTSS (0.53) CTSLCTSSCTSK
SCHEMBL9417266 0.79 CTSS (0.53) CTSLCTSSCTSK
SCHEMBL9417433 0.78 MMP8 (0.45) RENMMP9MMP8CTSLCTSS
SCHEMBL9417279 0.76 CTSS (0.40) SMN1; SMN2CTSLCTSSCTSK
SCHEMBL7281480 0.75 MMP1 (0.43) RENMMP2MMP9MMP8CTSL
SCHEMBL7272851 0.74 REN (0.51) REN
SCHEMBL7276181 0.74 REN (0.51) REN

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-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
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