SCHEMBL7308409

SCHEMBL7308409

CC(C)CC(CP(=O)(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)N(C(=O)OCc1ccccc1)C(=O)C(N)Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 2/20 0.43
▸ ECE1 P42892 7/20 0.42
▸ MME P08473 6/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP14 P50281 2/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ ANPEP P15144 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ CPA1 P15085 1/20 0.38
▸ CPB1 P15086 1/20 0.38
▸ CPA2 P48052 1/20 0.38
▸ CPA4 Q9UI42 1/20 0.38
▸ ACE P12821 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
SCHEMBL7283367 0.84 ACE2 (0.51) ACE2ECE1MMEMMP2MMP9
SCHEMBL7284698 0.84 ACE2 (0.51) ACE2ECE1MMEMMP2MMP9
SCHEMBL7308401 0.84 ECE1 (0.53) ACE2ECE1MMEMMP2MMP9
SCHEMBL10754244 0.80 CTSL (0.38) MMP2
SCHEMBL10443717 0.80 REN (0.45) —
SCHEMBL9876548 0.77 REN (0.49) —
SCHEMBL9876341 0.77 REN (0.54) —
SCHEMBL9876598 0.76 REN (0.52) —
SCHEMBL10716071 0.76 ACE2 (0.67) ACE2ECE1MME
SCHEMBL7274793 0.76 REN (0.46) ACE2MMP2MMP9MMP8ANPEP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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