SCHEMBL15095368

SCHEMBL15095368

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)NC1CCCc3ccccc31)CN2C(C)=O)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 17/20 0.65
BIRC3 Q13489 8/20 0.65
BIRC2 Q13490 12/20 0.52
CASP9 P55211 1/20 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
SCHEMBL2113579 1.00 XIAP (0.65) XIAPBIRC3BIRC2CASP9
SCHEMBL2632146 1.00 XIAP (0.65) XIAPBIRC3BIRC2CASP9
SCHEMBL2115448 0.94 XIAP (0.63) XIAPBIRC3BIRC2CASP9
SCHEMBL10284302 0.94 XIAP (0.63) XIAPBIRC3BIRC2CASP9
SCHEMBL2631840 0.93 XIAP (0.63) XIAPBIRC3BIRC2CASP9
SCHEMBL2115252 0.93 XIAP (0.63) XIAPBIRC3BIRC2CASP9
SCHEMBL13048223 0.90 XIAP (0.62) XIAPBIRC3BIRC2CASP9
SCHEMBL2631837 0.90 XIAP (0.62) XIAPBIRC3BIRC2CASP9
SCHEMBL2632160 0.90 XIAP (0.62) XIAPBIRC3BIRC2CASP9
SCHEMBL2113355 0.90 XIAP (0.62) XIAPBIRC3BIRC2CASP9

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
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed