SCHEMBL9417466

SCHEMBL9417466

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.56
▸ PTPN1 P18031 2/20 0.51
▸ MMP1 P03956 3/20 0.50
▸ FCER2 P06734 2/20 0.50
▸ OPRD1 P41143 1/20 0.46
▸ PSMB5 P28074 2/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ CTSB P07858 1/20 0.45

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
SCHEMBL10605598 0.90 PTPN1 (0.52) RENPTPN1MMP1FCER2CTSB
SCHEMBL9417261 0.82 REN (0.48) RENPTPN1MMP1FCER2
SCHEMBL10769022 0.81 ITGB3 (0.49) —
SCHEMBL11759100 0.81 REN (0.54) RENPTPN1MMP1FCER2
SCHEMBL11765581 0.81 REN (0.54) RENPTPN1MMP1FCER2
SCHEMBL27624894 0.81 REN (0.44) RENPTPN1MMP1FCER2
SCHEMBL9472410 0.80 REN (0.47) RENPTPN1MMP1FCER2
SCHEMBL11012831 0.80 MME (0.49) RENOPRD1PSMB5MMP2
Hydrochloric Acid SCHEMBL11764160 0.80 REN (0.53) RENPTPN1MMP1FCER2
SCHEMBL31171031 0.79 ECE1 (0.56) MMP1MMP2

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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