SCHEMBL5512380

SCHEMBL5512380

N#Cc1ccc2cc(NC(N)=O)n(CCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.57
DRD3 P35462 12/20 0.57
DRD4 P21917 11/20 0.57
HTR2A P28223 6/20 0.49
HTR1A P08908 3/20 0.49
ADRA1A P35348 1/20 0.48
DRD1 P21728 2/20 0.48
FAAH O00519 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL5509766 0.93 DRD2 (0.55) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL5507072 0.87 DRD3 (0.55) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4945958 0.84 DRD2 (0.49) DRD2DRD3HTR2A
SCHEMBL4947465 0.84 HTR1A (0.43) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL5511423 0.83 DRD2 (0.44) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL5510393 0.82 DRD2 (0.57) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4949934 0.82 DRD2 (0.43) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4945368 0.81 HTR1A (0.41) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4950169 0.81 DRD2 (0.43) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4951276 0.80 DRD2 (0.42) DRD2DRD3DRD4HTR2AHTR1A

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