SCHEMBL5089940

SCHEMBL5089940

N#Cc1ccc2cc(NC(N)=O)n(CCCCN3CCN(c4ccc5c(c4)OCCC5)CC3)c2c1.NC(=O)Nc1cc2ccccc2n1CCCCN1CCN(c2ccc3c(c2)OCCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.41
KCNH2 Q12809 2/20 0.41
HTR1A P08908 5/20 0.39
SLC6A4 P31645 4/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
ADRA2A P08913 2/20 0.37
DRD2 P14416 2/20 0.37
ADRA2C P18825 2/20 0.37
SLC6A2 P23975 2/20 0.37
ADRA1D P25100 2/20 0.37
HTR7 P34969 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ADRA2B P18089 1/20 0.37
ADRB2 P07550 1/20 0.36
DRD4 P21917 1/20 0.36
FPR3 P25089 1/20 0.36
GPR183 P32249 1/20 0.36

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
SCHEMBL4953041 0.96 HTR1A (0.41) DRD3KCNH2HTR1ASLC6A4HTR1D
SCHEMBL4948753 0.92 SLC6A4 (0.42) DRD3HTR1ASLC6A4ADRA2ADRD2
SCHEMBL4950644 0.91 HTR1A (0.41) DRD3KCNH2HTR1ASLC6A4HTR1D
SCHEMBL4947504 0.88 HTR1A (0.40) DRD3KCNH2HTR1ASLC6A4HTR1D
SCHEMBL4950627 0.88 HTR1A (0.47) DRD3KCNH2HTR1ASLC6A4HTR1D
SCHEMBL4949770 0.87 HTR1A (0.42) DRD3KCNH2HTR1ASLC6A4HTR1D
SCHEMBL4948664 0.87 HTR1A (0.51) DRD3KCNH2HTR1ASLC6A4HTR1D
SCHEMBL4950914 0.85 HTR1A (0.48) DRD3KCNH2HTR1ASLC6A4HTR1D
SCHEMBL4950287 0.84 HTR1A (0.51) DRD3KCNH2HTR1ASLC6A4HTR1D
SCHEMBL4947442 0.84 SLC6A4 (0.42) DRD3HTR1ASLC6A4ADRA2ADRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008526700-A 2008-07-24 JP claimed
EP-1761524-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2007-03-14 EP claimed
WO-2006072430-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2006-07-13 WO claimed