SCHEMBL11068604

SCHEMBL11068604

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.53
DRD2 P14416 10/20 0.44
DRD3 P35462 4/20 0.44
DRD4 P21917 2/20 0.44
HTR2A P28223 5/20 0.44
HTR1A P08908 3/20 0.44
HTR7 P34969 2/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL11063280 0.92 DRD2 (0.53) KCNH2DRD2DRD3DRD4HTR2A
SCHEMBL11071740 0.89 HTR7 (0.50) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL11070769 0.89 DRD2 (0.44) KCNH2DRD2DRD3DRD4HTR1A
SCHEMBL11064990 0.89 DRD2 (0.51) KCNH2DRD2DRD3DRD4HTR2A
SCHEMBL11070967 0.87 DRD2 (0.53) DRD2DRD3DRD4HTR7SIGMAR1
SCHEMBL11068676 0.85 KCNH2 (0.53) KCNH2DRD2DRD3DRD4HTR2A
SCHEMBL11071326 0.85 DRD2 (0.47) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL11065769 0.85 DRD2 (0.58) KCNH2DRD2DRD3DRD4HTR2A
SCHEMBL11071420 0.85 DRD2 (0.47) KCNH2DRD2DRD3DRD4HTR2A
SCHEMBL11069074 0.84 HTR7 (0.46) DRD2DRD3DRD4HTR1AHTR7

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