SCHEMBL3387755

SCHEMBL3387755

CCCN(CC1CCN(C(=O)O)CC1)C1CCc2ccc(OS(=O)(=O)c3c(C)noc3C)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.43
DRD3 P35462 9/20 0.43
DRD4 P21917 6/20 0.43
HTR1A P08908 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRB2 P07550 1/20 0.38
CYP2D6 P10635 1/20 0.38
CASP1 P29466 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 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
SCHEMBL6788728 0.92 DRD2 (0.41) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL3388370 0.91 DRD2 (0.41) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL3390892 0.90 DRD2 (0.40) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL3389944 0.87 DRD2 (0.46) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL5222458 0.80 MAPT (0.37) DRD2DRD3DRD4MAPTPKM
SCHEMBL6343702 0.78 DRD3 (0.66) DRD2DRD3DRD4
SCHEMBL7117724 0.77 DRD2 (0.66) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL3390524 0.76 DRD2 (0.43) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL6593135 0.76 DRD2 (0.42) DRD2DRD3DRD4HTR1A
SCHEMBL3387809 0.75 DRD2 (0.46) DRD2DRD3DRD4HTR1AMEN1

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