SCHEMBL11516346

SCHEMBL11516346

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP5 Q13451 1/20 0.44
▸ ACE P12821 7/20 0.43
▸ REN P00797 4/20 0.43
▸ PREP P48147 2/20 0.42
▸ FAP Q12884 2/20 0.42
▸ XIAP P98170 2/20 0.41
▸ MLX Q9UH92 1/20 0.41
▸ F2 P00734 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PEPD P12955 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PMP22 Q01453 1/20 0.41

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
SCHEMBL10954689 0.90 XIAP (0.46) FKBP5ACERENPREPFAP
SCHEMBL11519144 0.87 FKBP5 (0.44) FKBP5ACERENPREPFAP
SCHEMBL11517747 0.86 FKBP5 (0.43) FKBP5ACERENPREPFAP
SCHEMBL11517692 0.85 FKBP5 (0.47) FKBP5ACERENPREPFAP
SCHEMBL11518286 0.84 ACE (0.44) FKBP5ACERENPREPFAP
SCHEMBL17117574 0.83 PREP (0.46) ACERENPREPFAPF2
SCHEMBL11518459 0.83 NPSR1 (0.47) FKBP5ACERENPREPFAP
SCHEMBL18681643 0.82 PREP (0.50) ACERENPREPFAPF2
SCHEMBL10950995 0.80 NPSR1 (0.45) ACERENPREPFAPXIAP
SCHEMBL11517312 0.80 PREP (0.62) ACEPREPFAPACE2

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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