SCHEMBL11518286

SCHEMBL11518286

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.44
▸ FKBP5 Q13451 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PREP P48147 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ REN P00797 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ XIAP P98170 1/20 0.39

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
SCHEMBL18088507 0.85 PEPD (0.47) ACELMNAPREPSMN1; SMN2REN
SCHEMBL11515816 0.84 PREP (0.66) ACELMNAPREPSMN1; SMN2REN
SCHEMBL11519144 0.84 FKBP5 (0.44) ACEFKBP5LMNAPREPREN
SCHEMBL11516346 0.84 FKBP5 (0.44) ACEFKBP5LMNAPREPREN
SCHEMBL11517747 0.82 FKBP5 (0.43) ACEFKBP5LMNAPREPREN
SCHEMBL10656762 0.82 ACE (0.53) ACELMNAPREPSMN1; SMN2REN
SCHEMBL10954689 0.81 XIAP (0.46) ACEFKBP5LMNAPREPREN
SCHEMBL11517692 0.81 FKBP5 (0.47) ACEFKBP5PREPRENTSHR
SCHEMBL26328139 0.80 RAB9A (0.49) FKBP5LMNASMN1; SMN2TSHRPOLB
SCHEMBL11518459 0.80 NPSR1 (0.47) ACEFKBP5PREPRENFAP

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
US-4176116-A ELASTASE ENZYME INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1979-11-27 — — US claimed
US-4176116-A ELASTASE ENZYME INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1979-11-27 — — US disclosed
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