SCHEMBL9417269

SCHEMBL9417269

COc1ccc(C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 16/20 0.54
▸ MMP3 P08254 4/20 0.54
▸ MMP9 P14780 2/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ MMP2 P08253 3/20 0.50
▸ ANPEP P15144 1/20 0.49
▸ MMP7 P09237 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP13 P45452 1/20 0.48

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
SCHEMBL5552437 0.81 MMP1 (0.54) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28221966 0.80 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28221962 0.80 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL28222036 0.80 MMP1 (0.60) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL9832852 0.77 MMP1 (0.56) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL9830801 0.76 NPY5R (0.54) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL5558798 0.76 MMP1 (0.74) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL1871252 0.75 ANPEP (0.57) MMP1MMP3MMP9ADAM17ANPEP
SCHEMBL9502392 0.74 MMP1 (0.41) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL10495976 0.74 MMP1 (0.41) MMP1MMP3MMP9ADAM17MMP2

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 8 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-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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