SCHEMBL2304555

SCHEMBL2304555

CNc1nc(Cl)c(Cl)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)ON4CCOCC4)CC3)CC2)n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.45
DRD3 P35462 9/20 0.45
HTR2A P28223 9/20 0.44
HTR1A P08908 3/20 0.44

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
SCHEMBL977787 0.87 DRD2 (0.57) DRD2DRD3HTR2AHTR1A
SCHEMBL976217 0.85 DRD2 (0.61) DRD2DRD3HTR2AHTR1A
SCHEMBL976215 0.85 DRD2 (0.61) DRD2DRD3HTR2AHTR1A
SCHEMBL978461 0.84 DRD2 (0.55) DRD2DRD3HTR2AHTR1A
SCHEMBL978459 0.84 DRD2 (0.55) DRD2DRD3HTR2AHTR1A
SCHEMBL977900 0.83 DRD2 (0.60) DRD2DRD3HTR2AHTR1A
SCHEMBL977901 0.83 DRD2 (0.60) DRD2DRD3HTR2AHTR1A
SCHEMBL977902 0.83 DRD2 (0.56) DRD2DRD3HTR2AHTR1A
SCHEMBL977903 0.83 DRD2 (0.56) DRD2DRD3HTR2AHTR1A
SCHEMBL15747671 0.82 DRD2 (0.55) DRD2DRD3HTR2AHTR1A

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-2132185-B1 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2011-08-03 EP claimed