SCHEMBL7274793

SCHEMBL7274793

CC(C)CC(CP(=O)(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(N)Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.46
▸ ANPEP P15144 4/20 0.43
▸ ERAP2 Q6P179 4/20 0.43
▸ ERAP1 Q9NZ08 4/20 0.43
▸ IL1RN P18510 2/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ ACE2 Q9BYF1 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
SCHEMBL7286158 0.86 MMP2 (0.48) RENANPEPERAP2ERAP1MMP2
SCHEMBL7277213 0.85 REN (0.44) RENANPEPERAP2ERAP1MMP2
SCHEMBL7277678 0.84 MME (0.48) MMP2MMP9MMP8
SCHEMBL10718705 0.84 REN (0.46) RENANPEPERAP1MMP2MMP9
SCHEMBL7284698 0.83 ACE2 (0.51) RENANPEPERAP1MMP2MMP9
SCHEMBL7283367 0.83 ACE2 (0.51) RENANPEPERAP1MMP2MMP9
SCHEMBL7308401 0.82 ECE1 (0.53) RENANPEPERAP1MMP2MMP9
SCHEMBL11012642 0.82 ANPEP (0.41) RENANPEPERAP2ERAP1IL1RN
SCHEMBL10720722 0.82 ANPEP (0.41) RENANPEPERAP2ERAP1IL1RN
SCHEMBL7274934 0.82 REN (0.45) RENANPEPERAP1MMP2MMP9

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-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 — — EP disclosed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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