SCHEMBL12675437

SCHEMBL12675437

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C)[C@@H](C)OCCCCCCO[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XIAP P98170 12/20 0.42
BIRC2 Q13490 6/20 0.42
HRH3 Q9Y5N1 1/20 0.37
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL15705294 0.94 XIAP (0.40) XIAPBIRC2HRH3DPP4
SCHEMBL16137996 0.87 BIRC2 (0.54) XIAPBIRC2DPP4DPP8DPP9
SCHEMBL9965794 0.82 DPP4 (0.49) XIAPBIRC2DPP4DPP8DPP9
SCHEMBL12674996 0.76 BIRC2 (0.54) XIAPBIRC2
SCHEMBL14535059 0.76 XIAP (0.49) XIAPBIRC2HRH3DPP4
SCHEMBL12380915 0.76 XIAP (0.52) XIAPBIRC2
SCHEMBL13073763 0.75 XIAP (0.38) XIAPBIRC2DPP4
SCHEMBL10081350 0.74 BIRC2 (0.56) XIAPBIRC2
SCHEMBL12130787 0.74 BIRC2 (0.56) XIAPBIRC2
SCHEMBL13690351 0.74 BIRC2 (0.56) XIAPBIRC2

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
EP-2784076-A1 Dimeric SMAC mimetics Joyant Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
WO-2011059763-A2 DIMERIC SMAC MIMETICS JOYANT PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed