SCHEMBL9417301

SCHEMBL9417301

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

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.43
▸ QRFPR Q96P65 1/20 0.43

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
SCHEMBL9417278 0.91 CTSL (0.44) REN
SCHEMBL7302163 0.89 REN (0.48) REN
SCHEMBL9417286 0.89 QRFPR (0.46) RENQRFPR
SCHEMBL7280728 0.88 REN (0.51) REN
SCHEMBL7280722 0.88 REN (0.51) REN
SCHEMBL9442804 0.86 REN (0.37) RENQRFPR
SCHEMBL7284371 0.82 REN (0.52) REN
SCHEMBL7284363 0.82 REN (0.52) REN
SCHEMBL9417281 0.81 CTSL (0.46) —
SCHEMBL10408622 0.80 MMP2 (0.44) 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 5 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-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 — — US disclosed
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