SCHEMBL11063753

SCHEMBL11063753

O=C1CCc2c(cccc2OCCCN2CCC(O)(c3ccccc3F)CC2)N1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.44
DRD3 P35462 6/20 0.43
DRD4 P21917 5/20 0.43
SLC6A1 P30531 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A11 P48066 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
HTR1A P08908 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2A P28223 2/20 0.40

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
SCHEMBL11066546 0.89 DRD2 (0.48) DRD2DRD3DRD4SLC6A1SLC6A12
SCHEMBL11063280 0.87 DRD2 (0.53) DRD2DRD3DRD4HTR1AADRB2
SCHEMBL11071740 0.86 HTR7 (0.50) DRD2DRD3DRD4MAOAMAOB
SCHEMBL11064025 0.85 DRD2 (0.44) DRD2DRD3DRD4KDM4EMAOA
SCHEMBL11068604 0.84 KCNH2 (0.53) DRD2DRD3DRD4KDM4EHTR1A
SCHEMBL11070967 0.83 DRD2 (0.53) DRD2DRD3DRD4MAOAMAOB
SCHEMBL11064027 0.83 DRD2 (0.48) DRD2DRD3DRD4MAOAMAOB
SCHEMBL11071326 0.82 DRD2 (0.47) DRD2DRD3DRD4MAOAMAOB
SCHEMBL11065769 0.82 DRD2 (0.58) DRD2DRD3DRD4HTR1AADRB2
SCHEMBL11071420 0.82 DRD2 (0.47) DRD2DRD3DRD4HTR1AADRB2

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