SCHEMBL3974749

SCHEMBL3974749

Cc1ccc(CNCC2(F)CCN(C(=O)c3coc(Br)c3)CC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.73
DRD2 P14416 3/20 0.70
DRD4 P21917 3/20 0.70
DRD3 P35462 3/20 0.70

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
SCHEMBL3979492 0.84 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL3977281 0.84 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL3976657 0.84 HTR1A (0.67) HTR1ADRD2DRD4DRD3
SCHEMBL1378153 0.83 HTR1A (0.83) HTR1ADRD2DRD4DRD3
SCHEMBL3982351 0.83 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL1379409 0.82 HTR1A (0.84) HTR1ADRD2DRD4DRD3
SCHEMBL4083420 0.82 HTR1A (0.72) HTR1ADRD2DRD4DRD3
SCHEMBL5185385 0.81 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL14164158 0.81 HTR1A (0.89) HTR1ADRD2DRD4DRD3
SCHEMBL27561954 0.81 HTR1A (0.77) HTR1ADRD2DRD4DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009060030-A1 HETEROARYL-SUBSTITUTED 2-PYRIDINYLMETHYLAMINE DERIVATIVES Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2009-05-14 WO claimed
EP-2058306-A1 Heteroaryl-substituted 2-pyridinyl-methylamine derivatives SCHWARZ PHARMA AG (DE) 2009-05-13 EP claimed
EP-2058306-A1 Heteroaryl-substituted 2-pyridinyl-methylamine derivatives SCHWARZ PHARMA AG (DE) 2009-05-13 EP disclosed