SCHEMBL11070769

SCHEMBL11070769

O=C1CCc2c(cccc2OCCCN2CCC(O)(c3cccc(Br)c3)CC2)N1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD3 P35462 7/20 0.44
DRD4 P21917 6/20 0.44
KCNH2 Q12809 2/20 0.41
HTR7 P34969 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11071420 0.91 DRD2 (0.47) DRD2DRD3DRD4KCNH2HTR7
SCHEMBL11071740 0.89 HTR7 (0.50) DRD2DRD3DRD4HTR7MAOA
SCHEMBL11064990 0.89 DRD2 (0.51) DRD2DRD3DRD4KCNH2HTR7
SCHEMBL11068604 0.89 KCNH2 (0.53) DRD2DRD3DRD4KCNH2HTR7
SCHEMBL11070967 0.87 DRD2 (0.53) DRD2DRD3DRD4HTR7MAOA
SCHEMBL11063280 0.86 DRD2 (0.53) DRD2DRD3DRD4KCNH2HTR7
SCHEMBL11073453 0.85 DRD2 (0.44) DRD2DRD3DRD4KCNH2HTR7
SCHEMBL11071326 0.85 DRD2 (0.47) DRD2DRD3DRD4HTR7MAOA
SCHEMBL11065769 0.85 DRD2 (0.58) DRD2DRD3DRD4KCNH2HTR7
SCHEMBL11069074 0.84 HTR7 (0.46) DRD2DRD3DRD4HTR7ADRB2

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