SCHEMBL7285402

SCHEMBL7285402

CC(C)CC(CP(=O)(O)C(CC1CCCCC1)NC(=O)C(N)CCCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 18/20 0.47
▸ ANPEP P15144 1/20 0.44
▸ LAP3 P28838 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42

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
SCHEMBL7285396 1.00 CPB2 (0.47) CPB2ANPEPLAP3ERAP2ERAP1
SCHEMBL7284748 0.86 CPB2 (0.49) CPB2
SCHEMBL7284754 0.86 CPB2 (0.49) CPB2
SCHEMBL10718807 0.85 CPB2 (0.48) CPB2
SCHEMBL10718805 0.85 CPB2 (0.48) CPB2
SCHEMBL9647220 0.77 ANPEP (0.65) ANPEPLAP3ERAP2ERAP1LNPEP
SCHEMBL30438211 0.74 CPB2 (0.63) CPB2
Hydrochloric Acid SCHEMBL10718561 0.73 ACE2 (0.48) ANPEPERAP2ERAP1LNPEP
SCHEMBL7306963 0.73 CPB2 (0.48) CPB2
SCHEMBL10718337 0.73 MMP3 (0.51) CPB2ERAP2ERAP1LNPEP

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
Send feedback