SCHEMBL11070047

SCHEMBL11070047

O=C1CCc2c(cccc2OCCCN2CCC(c3ccc(F)cc3)CC2)N1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.51
HTR2A P28223 7/20 0.51
DRD1 P21728 4/20 0.51
HTR1A P08908 3/20 0.51
DRD3 P35462 2/20 0.51
DRD5 P21918 1/20 0.51
HTR7 P34969 2/20 0.49
HTR6 P50406 1/20 0.46
OPRM1 P35372 3/20 0.45
SLC6A4 P31645 1/20 0.45
PARP1 P09874 2/20 0.43
PARP2 Q9UGN5 2/20 0.43
SCN1A P35498 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL11073435 0.92 HTR7 (0.48) DRD2DRD3HTR7SCN1ASCN5A
Hydrochloric Acid SCHEMBL11070539 0.91 HTR7 (0.47) DRD2DRD3HTR7SCN1ASCN5A
SCHEMBL11068502 0.89 DRD2 (0.47) DRD2HTR2ADRD1HTR1ADRD3
SCHEMBL11065159 0.86 SCN1A (0.49) DRD2HTR2ADRD1HTR1ADRD3
SCHEMBL11066472 0.85 DRD2 (0.43) DRD2HTR2AHTR1ADRD3SCN1A
SCHEMBL11068828 0.82 SCN1A (0.49) DRD2HTR2AHTR1ADRD3HTR6
SCHEMBL6108202 0.82 MAOA (0.58) PARP1MAOAMAOB
SCHEMBL10568577 0.81 DRD2 (0.51) DRD2HTR2AHTR1ADRD3HTR7
SCHEMBL11063280 0.81 DRD2 (0.53) DRD2HTR2ADRD1HTR1ADRD3
SCHEMBL10572437 0.81 HRH3 (0.49) DRD2HTR1ADRD3PARP1MAOA

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
US-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed