SCHEMBL5507072

SCHEMBL5507072

NC(=O)Nc1cc2ccccc2n1CCCCN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.55
DRD2 P14416 11/20 0.55
DRD4 P21917 6/20 0.55
ADRA1A P35348 2/20 0.55
KCNH2 Q12809 2/20 0.55
HTR2A P28223 5/20 0.55
HTR1A P08908 4/20 0.55
DRD1 P21728 3/20 0.55
HTR2C P28335 3/20 0.55
HTR2B P41595 3/20 0.55
SLC6A4 P31645 3/20 0.54
SLC6A2 P23975 2/20 0.54
FAAH O00519 2/20 0.54
ADRA1D P25100 1/20 0.53
ADRA1B P35368 1/20 0.53

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
SCHEMBL5510393 0.89 DRD2 (0.57) DRD3DRD2DRD4ADRA1AKCNH2
SCHEMBL5512380 0.87 DRD2 (0.57) DRD3DRD2DRD4ADRA1AHTR2A
SCHEMBL5509766 0.87 DRD2 (0.55) DRD3DRD2DRD4ADRA1AHTR2A
SCHEMBL5468576 0.85 DRD3 (0.53) DRD3DRD2DRD4ADRA1AKCNH2
SCHEMBL4947482 0.82 HTR1A (0.42) DRD3DRD2HTR2AHTR1A
SCHEMBL4950295 0.82 DRD2 (0.46) DRD3DRD2HTR2AHTR1A
SCHEMBL4950371 0.80 HTR1A (0.47) DRD3DRD2HTR2AHTR1A
SCHEMBL4950173 0.79 HTR1A (0.46) DRD3DRD2HTR2AHTR1A
SCHEMBL4950706 0.79 HTR1A (0.41) DRD3DRD2DRD4HTR2AHTR1A
SCHEMBL4952283 0.78 HTR1A (0.45) DRD3DRD2DRD4HTR2AHTR1A

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-1519726-B1 UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES SANOL ARZNEI SCHWARZ GMBH (DE) 2007-02-21 EP claimed