SCHEMBL11518459

SCHEMBL11518459

CCCCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ACE P12821 5/20 0.42
▸ REN P00797 2/20 0.42
▸ FKBP5 Q13451 1/20 0.41
▸ PRCP P42785 1/20 0.41
▸ ACE2 Q9BYF1 3/20 0.40
▸ BCHE P06276 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ XIAP P98170 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
SCHEMBL11519144 0.88 FKBP5 (0.44) ACERENFKBP5ACE2PREP
SCHEMBL11435667 0.83 ACE (0.55) ACERENACE2MEN1FAAH
SCHEMBL18374218 0.83 ACE (0.45) NPSR1ACEPRCPACE2MEN1
SCHEMBL11516346 0.83 FKBP5 (0.44) ACERENFKBP5ACE2PREP
SCHEMBL11429550 0.82 NPSR1 (0.52) NPSR1ACERENFKBP5PRCP
SCHEMBL11517747 0.81 FKBP5 (0.43) ACERENFKBP5ACE2PREP
SCHEMBL8615903 0.81 XIAP (0.48) XIAP
SCHEMBL8920639 0.81 XIAP (0.48) XIAP
SCHEMBL11517692 0.81 FKBP5 (0.47) NPSR1ACERENFKBP5PREP
SCHEMBL10954689 0.81 XIAP (0.46) ACERENFKBP5ACE2PREP

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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