SCHEMBL9417329

SCHEMBL9417329

CN(CCO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.46
▸ PSMB1 P20618 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PSMB2 P49721 1/20 0.41
▸ FCER2 P06734 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ GHSR Q92847 1/20 0.40
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ ERAP2 Q6P179 4/20 0.39
▸ LNPEP Q9UIQ6 4/20 0.39
▸ ERAP1 Q9NZ08 3/20 0.39
▸ QRFPR Q96P65 1/20 0.38

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
SCHEMBL7277904 0.86 FCER2 (0.45) RENFCER2MMP1GHSRCA12
SCHEMBL11759100 0.84 REN (0.54) RENFCER2MMP1CTSLERAP2
SCHEMBL11765581 0.84 REN (0.54) RENFCER2MMP1CTSLERAP2
SCHEMBL9472410 0.84 REN (0.47) RENFCER2MMP1CTSLERAP2
SCHEMBL9417261 0.83 REN (0.48) RENFCER2MMP1CTSLERAP2
Hydrochloric Acid SCHEMBL11764160 0.83 REN (0.53) RENFCER2MMP1CTSLERAP2
SCHEMBL9832615 0.82 OPRM1 (0.40) MMP1ITGA4ITGB7ERAP2LNPEP
SCHEMBL10605598 0.81 PTPN1 (0.52) RENFCER2MMP1CTSLERAP2
SCHEMBL7271435 0.81 CTSL (0.50) RENFCER2MMP1CTSL
SCHEMBL9417336 0.81 REN (0.48) RENFCER2MMP1GHSRCTSL

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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