SCHEMBL3978644

SCHEMBL3978644

Cc1ccc(CNCC2(F)CCN(C(=O)c3c[nH]c4ccc(Br)cc34)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.64
DRD2 P14416 4/20 0.64
DRD4 P21917 4/20 0.64
DRD3 P35462 4/20 0.64

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
SCHEMBL3974536 0.93 HTR1A (0.67) HTR1ADRD2DRD4DRD3
SCHEMBL3979340 0.90 HTR1A (0.63) HTR1ADRD2DRD4DRD3
SCHEMBL3976406 0.89 HTR1A (0.63) HTR1ADRD2DRD4DRD3
SCHEMBL3974046 0.88 HTR1A (0.70) HTR1ADRD2DRD4DRD3
SCHEMBL3974430 0.86 HTR1A (0.62) HTR1ADRD2DRD4DRD3
SCHEMBL3983342 0.84 HTR1A (0.64) HTR1ADRD2DRD4DRD3
SCHEMBL3975315 0.82 HTR1A (0.67) HTR1ADRD2DRD4DRD3
SCHEMBL3977429 0.82 HTR1A (0.66) HTR1ADRD2DRD4DRD3
SCHEMBL3972879 0.78 HTR1A (0.77) HTR1ADRD2DRD4DRD3
SCHEMBL3982351 0.78 HTR1A (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058306-A1 Heteroaryl-substituted 2-pyridinyl-methylamine derivatives SCHWARZ PHARMA AG (DE) 2009-05-13 EP disclosed