SCHEMBL7306971

SCHEMBL7306971

CC(C)C(CP(=O)(O)OC(CC1CCCCC1)NC(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 20/20 0.46

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
SCHEMBL7284754 0.84 CPB2 (0.49) CPB2
SCHEMBL7284748 0.84 CPB2 (0.49) CPB2
SCHEMBL7308139 0.81 MMP1 (0.42) —
SCHEMBL7306963 0.74 CPB2 (0.48) CPB2
SCHEMBL7285402 0.73 CPB2 (0.47) CPB2
SCHEMBL7285396 0.73 CPB2 (0.47) CPB2
SCHEMBL30438211 0.72 CPB2 (0.63) CPB2
SCHEMBL10715825 0.72 CPB2 (0.43) CPB2
SCHEMBL10718349 0.71 CPB2 (0.46) CPB2
SCHEMBL10718807 0.71 CPB2 (0.48) CPB2

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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