SCHEMBL4397316

SCHEMBL4397316

CCCCc1nc(C2CC2)cc(N2CCN(CCCCl)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
DRD2 P14416 7/20 0.39
HTR6 P50406 1/20 0.39
DRD3 P35462 6/20 0.39
CTSK P43235 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL6826788 0.81 KDM4E (0.36) DRD2HTR6DRD3KCNH2KDM4E
SCHEMBL5500376 0.81 DRD2 (0.46) DRD2DRD3
SCHEMBL4390618 0.80 DRD2 (0.57) DRD2DRD3
SCHEMBL5170798 0.80 DRD2 (0.34) DRD2HTR6DRD3KDM4EGAA
SCHEMBL387135 0.76 DRD2 (0.55) HRH4DRD2DRD3
SCHEMBL3653384 0.75 HRH4 (0.57) HRH4DRD2HTR6CTSKKCNH2
SCHEMBL388042 0.73 DRD2 (0.45) DRD2DRD3
SCHEMBL4391003 0.71 HRH4 (0.47) HRH4DRD2DRD3
SCHEMBL4396559 0.69 CHRM3 (0.40) DRD2DRD3KCNH2
SCHEMBL4392571 0.69 DRD2 (0.54) 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 disclosed