SCHEMBL3813832

SCHEMBL3813832

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCN(C(=O)NC(C)(C)C)C[C@H]1C(=O)NC1CCCc2ccccc21)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.55
BIRC3 Q13489 9/20 0.55
CASP9 P55211 1/20 0.54
BIRC2 Q13490 16/20 0.53

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
SCHEMBL3810557 0.93 XIAP (0.59) XIAPBIRC3CASP9BIRC2
SCHEMBL3813030 0.90 XIAP (0.60) XIAPBIRC3CASP9BIRC2
SCHEMBL3813915 0.89 XIAP (0.55) XIAPBIRC3CASP9BIRC2
SCHEMBL3812135 0.87 XIAP (0.56) XIAPBIRC3CASP9BIRC2
SCHEMBL12467179 0.87 XIAP (0.56) XIAPBIRC3CASP9BIRC2
SCHEMBL3813690 0.87 XIAP (0.53) XIAPBIRC3CASP9BIRC2
SCHEMBL3820356 0.87 XIAP (0.59) XIAPBIRC3CASP9BIRC2
SCHEMBL12465437 0.86 XIAP (0.55) XIAPBIRC3CASP9BIRC2
SCHEMBL3810572 0.86 XIAP (0.55) XIAPBIRC3CASP9BIRC2
SCHEMBL3824429 0.85 XIAP (0.57) XIAPBIRC3CASP9BIRC2

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-1874748-B1 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS NOVARTIS AG (CH) 2009-08-12 EP claimed
EP-1874748-B1 2 -AMINOCARBONYL SUBSTITUTED PIPERAZINE OR DIAZA-CYCLIC COMPOUNDS AS APOPTOSIS PROTEIN INHIBITOR (IAP) MODULATORS NOVARTIS AG (CH) 2009-08-12 EP disclosed