SCHEMBL9417286

SCHEMBL9417286

NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 1/20 0.46
▸ REN P00797 1/20 0.46
▸ POLB P06746 2/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CTSL P07711 4/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSB P07858 2/20 0.42

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
SCHEMBL9417266 0.90 CTSS (0.53) POLBCTSKCTSLCTSSCTSB
SCHEMBL7441871 0.90 CTSS (0.53) POLBCTSKCTSLCTSSCTSB
SCHEMBL9417301 0.89 REN (0.43) QRFPRREN
SCHEMBL7431573 0.87 KMT2A (0.43) POLBCTSL
SCHEMBL9417281 0.87 CTSL (0.46) POLBCTSLCTSSCTSB
SCHEMBL11759100 0.82 REN (0.54) RENCTSKCTSLCTSS
SCHEMBL11765581 0.82 REN (0.54) RENCTSKCTSLCTSS
SCHEMBL10555105 0.82 CTSL (0.56) POLBCTSKCTSLCTSSCTSB
SCHEMBL10605598 0.81 PTPN1 (0.52) RENCTSLCTSSCTSB
SCHEMBL9417261 0.81 REN (0.48) QRFPRRENCTSL

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
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