SCHEMBL7272385

SCHEMBL7272385

CC(C)CCC(O)(CO)C(N)CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.34
ANPEP P15144 4/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
LNPEP Q9UIQ6 1/20 0.30

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
SCHEMBL12917362 0.76 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL10722895 0.75 ALDH1A1 (0.35) SLC7A5ANPEPRNPEPDNPEPALDH1A1
SCHEMBL1152430 0.72 SLC7A5 (0.38) SLC7A5ANPEPALDH1A1SLC1A3SLC1A2
SCHEMBL1152429 0.72 SLC7A5 (0.38) SLC7A5ANPEPALDH1A1SLC1A3SLC1A2
SCHEMBL7271149 0.72 TDP1 (0.31) ANPEPDNPEP
SCHEMBL7271153 0.72 TDP1 (0.31) ANPEPDNPEP
SCHEMBL1153659 0.72 SLC7A5 (0.41) SLC7A5ANPEPRNPEPDNPEPALDH1A1
SCHEMBL1153657 0.72 SLC7A5 (0.41) SLC7A5ANPEPRNPEPDNPEPALDH1A1
SCHEMBL3591461 0.72 SLC7A5 (0.41) SLC7A5ANPEPRNPEPDNPEPALDH1A1
SCHEMBL17464920 0.69 TSHR (0.36) ALDH1A1TSHR

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 10 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
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed