SCHEMBL7057971

SCHEMBL7057971

CCOc1cc(Br)ccc1N1CCN(CCCCN)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.45
DRD3 P35462 5/20 0.45
DRD4 P21917 3/20 0.45
HTR1A P08908 8/20 0.44
HTR7 P34969 6/20 0.44
ADRA1D P25100 4/20 0.43
ADRA1A P35348 4/20 0.43
ADRA1B P35368 4/20 0.43
HTR2A P28223 3/20 0.43
HTR6 P50406 3/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7055589 0.88 HTR1A (0.52) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL7055581 0.82 HTR1A (0.53) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL10546259 0.82 DRD2 (0.63) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL7052887 0.81 DRD2 (0.64) DRD2DRD3HTR1AHTR7ADRA1D
SCHEMBL7057953 0.81 ALDH1A1 (0.47) DRD2DRD3DRD4ADRA1AADRA1B
SCHEMBL7052673 0.79 ADRA1B (0.48) DRD2DRD3HTR1AHTR7ADRA1A
SCHEMBL4079151 0.78 DRD2 (0.49) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL8828465 0.78 DRD2 (0.64) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL7055837 0.75 CHRNB2 (0.49) DRD2DRD3HTR1AHTR6ALDH1A1
SCHEMBL4079148 0.74 LMNA (0.52) DRD2DRD3HTR1AHTR7ADRA1D

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
WO-2003028728-A1 4-(4-SUBSTITUTED PIPERAZINYL-1YL)-BUTYLCARBOXAMIDES AS D3 DOPAMINE SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO disclosed