SCHEMBL5827508

SCHEMBL5827508

CC(C)(C)OC(=O)N(N)Cc1ccc(OCCCCN2CCN(c3cccc4ccccc34)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.49
HTR1A P08908 11/20 0.49
HTR2A P28223 11/20 0.49
SLC6A4 P31645 5/20 0.44
DRD3 P35462 5/20 0.44
HTR2C P28335 2/20 0.44
KCNH2 Q12809 3/20 0.43
DRD4 P21917 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL5827507 0.80 DRD2 (0.51) DRD2HTR1AHTR2ASLC6A4DRD3
SCHEMBL5363297 0.76 DRD2 (0.47) DRD2HTR1AHTR2ASLC6A4DRD3
SCHEMBL5369461 0.74 DRD2 (0.51) DRD2HTR1AHTR2ASLC6A4DRD3
SCHEMBL5373862 0.71 HTR1A (0.61) DRD2HTR1AHTR2ASLC6A4KCNH2
SCHEMBL5366536 0.70 DRD2 (0.48) DRD2HTR1AHTR2ASLC6A4DRD3
SCHEMBL15546792 0.70 DRD2 (0.54) DRD2HTR1AHTR2ASLC6A4DRD3
SCHEMBL22844470 0.70 HTR1A (0.57) DRD2HTR1AHTR2ASLC6A4KCNH2
SCHEMBL15601661 0.70 DRD2 (0.62) DRD2HTR1AHTR2ASLC6A4DRD3
SCHEMBL15534212 0.70 HTR1A (0.59) DRD2HTR1AHTR2ASLC6A4DRD3
SCHEMBL17471492 0.70 DRD2 (0.59) DRD2HTR1AHTR2ASLC6A4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed