SCHEMBL382447

SCHEMBL382447

C[C@@](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
ITGAV P06756 6/20 0.48
DRD2 P14416 6/20 0.42
DRD3 P35462 6/20 0.42
SFRP1 Q8N474 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASR P41180 3/20 0.38
HPGDS O60760 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL383161 0.90 ITGB3 (0.47) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382445 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL27472953 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL383159 0.82 ITGB3 (0.44) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6499277 0.81 SFRP1 (0.41) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6800334 0.81 DRD2 (0.43) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL27458668 0.81 ITGB3 (0.43) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL383009 0.81 DRD2 (0.42) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL423056 0.80 ITGB3 (0.40) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6500480 0.80 ITGB3 (0.38) 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