SCHEMBL13746523

SCHEMBL13746523

CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(C)=O)C[C@H]1C(=O)NCc1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 16/20 0.51
▸ BIRC2 Q13490 14/20 0.50
▸ BIRC3 Q13489 10/20 0.50

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
SCHEMBL13747240 0.93 XIAP (0.48) XIAPBIRC2BIRC3
SCHEMBL13164630 0.92 XIAP (0.58) XIAPBIRC2BIRC3
SCHEMBL13746451 0.92 XIAP (0.53) XIAPBIRC2BIRC3
SCHEMBL13747130 0.90 XIAP (0.56) XIAPBIRC2BIRC3
SCHEMBL13746517 0.89 BIRC2 (0.50) XIAPBIRC2BIRC3
SCHEMBL13746561 0.88 BIRC2 (0.46) XIAPBIRC2BIRC3
SCHEMBL13872851 0.88 XIAP (0.53) XIAPBIRC2BIRC3
SCHEMBL13747108 0.88 BIRC2 (0.48) XIAPBIRC2BIRC3
SCHEMBL13872872 0.86 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL13164633 0.86 XIAP (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
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