SCHEMBL9965794

SCHEMBL9965794

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.49
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
BIRC2 Q13490 1/20 0.44
XIAP P98170 16/20 0.43
MLX Q9UH92 1/20 0.40

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
SCHEMBL13073333 0.84 DPP4 (0.49) DPP4DPP8DPP9XIAPMLX
SCHEMBL18754863 0.84 BIRC2 (0.45) DPP4BIRC2XIAP
SCHEMBL10078889 0.84 BIRC2 (0.45) DPP4BIRC2XIAP
SCHEMBL3796192 0.84 ACE (0.50) DPP4DPP8DPP9BIRC2XIAP
SCHEMBL18474879 0.82 DPP4 (0.68) DPP4DPP8DPP9
SCHEMBL16137996 0.82 BIRC2 (0.54) DPP4DPP8DPP9BIRC2XIAP
SCHEMBL12675437 0.82 XIAP (0.42) DPP4DPP8DPP9BIRC2XIAP
SCHEMBL13050530 0.82 FAP (0.45) DPP4DPP8DPP9
SCHEMBL12747467 0.82 FAP (0.45) DPP4DPP8DPP9
SCHEMBL13673006 0.82 BIRC2 (0.49) DPP4DPP8DPP9BIRC2XIAP

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-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed