SCHEMBL7283367

SCHEMBL7283367

CC(C)CC(CP(=O)(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 2/20 0.51
▸ ECE1 P42892 9/20 0.51
▸ MME P08473 9/20 0.51
▸ MMP2 P08253 1/20 0.46
▸ MMP7 P09237 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ REN P00797 3/20 0.45
▸ ANPEP P15144 1/20 0.45
▸ ERAP1 Q9NZ08 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
SCHEMBL7284698 1.00 ACE2 (0.51) ACE2ECE1MMEMMP2MMP7
SCHEMBL7308401 0.98 ECE1 (0.53) ACE2ECE1MMEMMP2MMP7
SCHEMBL7286158 0.88 MMP2 (0.48) ACE2ECE1MMEMMP2MMP7
SCHEMBL10718415 0.87 CTSL (0.44) ECE1MMEACEREN
SCHEMBL10718426 0.87 CTSL (0.44) ECE1MMEACEREN
SCHEMBL7277678 0.86 MME (0.48) ECE1MMEMMP2MMP7MMP9
SCHEMBL10718705 0.86 REN (0.46) ECE1MMEMMP2MMP7MMP9
SCHEMBL7282841 0.86 REN (0.45) ACE2ECE1MMEMMP2MMP7
SCHEMBL10716071 0.85 ACE2 (0.67) ACE2ECE1MME
SCHEMBL7274934 0.84 REN (0.45) ACE2ECE1MMEMMP2MMP7

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

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