SCHEMBL13574385

SCHEMBL13574385

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 12/20 0.48
BIRC2 Q13490 12/20 0.48
BIRC3 Q13489 6/20 0.48

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
SCHEMBL13574334 0.97 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL26267832 0.97 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL13574410 0.84 XIAP (0.44) XIAPBIRC2BIRC3
SCHEMBL13574453 0.84 XIAP (0.44) XIAPBIRC2BIRC3
SCHEMBL2439908 0.84 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL12300017 0.84 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL11928050 0.83 XIAP (0.45) XIAPBIRC2BIRC3
SCHEMBL13574430 0.83 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL15093340 0.82 BIRC2 (0.53) XIAPBIRC2BIRC3
SCHEMBL15065057 0.82 BIRC2 (0.53) XIAPBIRC2BIRC3

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
WO-2009155709-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-12-30 WO disclosed