SCHEMBL3957976

SCHEMBL3957976

c1ccc(CCNCc2cccc(OCCOc3ccccc3)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.78
GAA P10253 2/20 0.66
DRD4 P21917 3/20 0.63
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
MAPT P10636 1/20 0.56
PPARG P37231 1/20 0.54

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
SCHEMBL12228161 0.90 BCHE (0.72) BCHEGAADRD4DRD2DRD3
SCHEMBL10997609 0.88 BCHE (0.70) BCHEGAADRD4DRD2DRD3
SCHEMBL5947718 0.84 BCHE (0.72) BCHEGAAMAPT
SCHEMBL5947378 0.84 BCHE (0.65) BCHEGAADRD4DRD2DRD3
SCHEMBL21634316 0.84 BCHE (0.63) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL14197926 0.82 BCHE (0.67) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL3835443 0.82 BCHE (0.63) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL21634272 0.82 BCHE (0.67) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL30821653 0.82 BCHE (0.67) BCHEDRD4DRD2DRD3ADRA1D
SCHEMBL5947204 0.82 BCHE (0.59) BCHE

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-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP claimed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO claimed