SCHEMBL11064042

SCHEMBL11064042

O=C1CCc2cccc(OCCCN3CCC(O)(c4ccccc4Br)CC3)c2N1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
DRD3 P35462 6/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CCR1 P32246 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
DRD4 P21917 5/20 0.41
SLC6A1 P30531 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A11 P48066 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 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
SCHEMBL11071128 0.89 DRD2 (0.48) DRD2DRD3CCR1KCNH2MAOA
SCHEMBL11064025 0.89 DRD2 (0.44) DRD2DRD3KDM4EMAOAMAOB
SCHEMBL11066899 0.86 HTR7 (0.50) DRD2DRD3ALDH1A1CCR1KCNH2
SCHEMBL11073453 0.84 DRD2 (0.44) DRD2DRD3KDM4EALDH1A1CCR1
SCHEMBL11064850 0.83 DRD2 (0.48) DRD2DRD3ALDH1A1CCR1KCNH2
SCHEMBL11071121 0.83 DRD2 (0.53) DRD2DRD3CCR1KCNH2DRD4
SCHEMBL11062876 0.82 DRD2 (0.47) DRD2DRD3ALDH1A1CCR1KCNH2
SCHEMBL11073945 0.82 DRD2 (0.58) DRD2DRD3CCR1KCNH2DRD4
SCHEMBL11061128 0.81 MAOA (0.65) DRD2DRD3MAOAMAOBDRD4
SCHEMBL11068676 0.80 KCNH2 (0.53) DRD2DRD3KDM4ECCR1KCNH2

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