SCHEMBL3392406

SCHEMBL3392406

CCC(C1CCNCC1)N(C)C1CCc2ccc(OS(=O)(=O)c3c(C)noc3C)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
DRD2 P14416 6/20 0.34
DRD3 P35462 6/20 0.34
DRD4 P21917 4/20 0.34
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
BRD4 O60885 3/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
DPP9 Q86TI2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
TSHR P16473 3/20 0.32
HTR1D P28221 1/20 0.31

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
SCHEMBL3390894 0.81 MAPT (0.36) MAPTDRD2DRD3DRD4TSHR
SCHEMBL3389944 0.81 DRD2 (0.46) MAPTDRD2DRD3DRD4HTR1D
SCHEMBL6620561 0.78 MAPT (0.34) MAPTDRD2DRD3DRD4
SCHEMBL3390892 0.74 DRD2 (0.40) MAPTDRD2DRD3DRD4SMN1; SMN2
SCHEMBL6593135 0.73 DRD2 (0.42) DRD2DRD3DRD4HTR1D
SCHEMBL6590352 0.70 DRD3 (0.42) MAPTDRD2DRD3DRD4HTR1D
SCHEMBL3387755 0.70 DRD2 (0.43) MAPTDRD2DRD3DRD4
SCHEMBL5222458 0.69 MAPT (0.37) MAPTDRD2DRD3DRD4TSHR
SCHEMBL6788728 0.68 DRD2 (0.41) MAPTDRD2DRD3DRD4
SCHEMBL3388370 0.68 DRD2 (0.41) DRD2DRD3DRD4

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-1453805-B1 4-PIPERIDINYL ALKYLAMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed