SCHEMBL5170798

SCHEMBL5170798

CCCCc1nc(N2CCN(CCCCl)CC2)cc(C2(C)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
CETP P11597 1/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 2/20 0.32
DRD4 P21917 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR7 P34969 2/20 0.32
DRD3 P35462 2/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL390980 0.80 DRD2 (0.44) DRD2DRD3
SCHEMBL4397316 0.80 HRH4 (0.40) DRD2HTR6KDM4EGAASIGMAR1
SCHEMBL6826788 0.79 KDM4E (0.36) DRD2HTR6KDM4EGAASIGMAR1
SCHEMBL4396559 0.79 CHRM3 (0.40) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL5500376 0.79 DRD2 (0.46) DRD2DRD3
SCHEMBL4396315 0.77 CHRM3 (0.39) DRD2KDM4EGAALMNAHTR1A
SCHEMBL388042 0.67 DRD2 (0.45) DRD2DRD3
SCHEMBL390969 0.64 DRD2 (0.46) DRD2DRD3
SCHEMBL6179942 0.63 DRD2 (0.54) DRD2DRD3
SCHEMBL392228 0.63 DRD2 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778684-A1 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) 2007-05-02 EP disclosed
WO-2006015842-A1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-02-16 WO disclosed