SCHEMBL10109808

SCHEMBL10109808

O=C(OCc1ccccc1)N1CC(O)C[C@H]1Cc1c[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.45
POLB P06746 1/20 0.44
TGM2 P21980 1/20 0.43
DRD4 P21917 3/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
JAK2 O60674 5/20 0.40
JAK1 P23458 5/20 0.40
ADORA2A P29274 1/20 0.39
GRIN2B Q13224 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
MTNR1A P48039 1/20 0.39
NPC1L1 Q9UHC9 1/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38

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
SCHEMBL820247 1.00 MET (0.45) METPOLBTGM2DRD4DRD2
SCHEMBL820242 1.00 MET (0.45) METPOLBTGM2DRD4DRD2
SCHEMBL374971 1.00 MET (0.45) METPOLBTGM2DRD4DRD2
SCHEMBL818205 0.87 MET (0.41) METPOLBTGM2DRD4DRD2
SCHEMBL820249 0.87 MET (0.41) METPOLBTGM2DRD4DRD2
SCHEMBL820255 0.84 DRD2 (0.46) METTGM2DRD4DRD2DRD3
SCHEMBL27821707 0.84 DRD2 (0.46) METTGM2DRD4DRD2DRD3
SCHEMBL379870 0.80 BCHE (0.39) METPOLBTGM2
SCHEMBL13787023 0.80 BCHE (0.39) METPOLBTGM2
SCHEMBL820248 0.80 BCHE (0.39) METPOLBTGM2

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-2409984-A1 Dimeric IAP Antagonists TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2012-01-25 EP disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO disclosed