SCHEMBL4390733

SCHEMBL4390733

CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCCNC(=O)Oc3ccccn3)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.62
DRD3 P35462 20/20 0.62

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
SCHEMBL4397421 0.89 DRD2 (0.56) DRD2DRD3
SCHEMBL4402517 0.85 DRD2 (0.58) DRD2DRD3
SCHEMBL4521353 0.84 DRD2 (0.62) DRD2DRD3
SCHEMBL4390977 0.83 DRD2 (0.58) DRD2DRD3
SCHEMBL4390927 0.81 DRD2 (0.63) DRD2DRD3
SCHEMBL4397380 0.80 DRD2 (0.65) DRD2DRD3
Hydrochloric Acid SCHEMBL4524158 0.80 DRD2 (0.62) DRD2DRD3
SCHEMBL4388921 0.80 DRD3 (0.62) DRD2DRD3
SCHEMBL5174628 0.79 DRD2 (0.63) DRD2DRD3
SCHEMBL4390552 0.79 DRD2 (0.62) DRD2DRD3

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-1778684-B1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR ABBOTT GMBH & CO KG (DE) 2009-12-16 EP claimed