SCHEMBL382445

SCHEMBL382445

CC(CC(=O)O)(NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
ITGAV P06756 2/20 0.46
DRD2 P14416 7/20 0.41
DRD3 P35462 7/20 0.41
SFRP1 Q8N474 1/20 0.40
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASR P41180 4/20 0.38
JAK2 O60674 1/20 0.37
BRD4 O60885 1/20 0.37
HDAC1 Q13547 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL383159 0.91 ITGB3 (0.44) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382447 0.83 ITGB3 (0.48) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6499251 0.82 SFRP1 (0.42) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL383161 0.82 ITGB3 (0.47) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6800344 0.81 DRD2 (0.43) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL381766 0.81 DRD2 (0.42) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6500444 0.80 KAT6A (0.39) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382621 0.80 DRD2 (0.40) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382417 0.80 DRD2 (0.40) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6498423 0.80 DRD2 (0.40) ITGB3ITGA2BITGAVDRD2DRD3

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
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed