SCHEMBL11068571

SCHEMBL11068571

O=C1CCc2cc(OCCCN3CCC(O)(c4cccc(F)c4)CC3)ccc2N1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.64
DRD2 P14416 7/20 0.57
DRD3 P35462 3/20 0.57
DRD4 P21917 2/20 0.57
HTR1A P08908 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
SLC6A4 P31645 2/20 0.57
HTR7 P34969 2/20 0.57
ALDH1A2 O94788 2/20 0.55
MAOA P21397 5/20 0.52
MAOB P27338 5/20 0.52

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
SCHEMBL11066723 0.93 DRD2 (0.65) KCNH2DRD2DRD3DRD4MAOA
SCHEMBL11070256 0.90 DRD2 (0.63) KCNH2DRD2DRD3DRD4HTR1A
SCHEMBL11070211 0.90 DRD2 (0.65) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11062760 0.89 DRD2 (0.57) KCNH2DRD2DRD3DRD4HTR1A
SCHEMBL11063552 0.89 DRD2 (0.62) KCNH2DRD2DRD3DRD4HTR1A
SCHEMBL11068660 0.84 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11065637 0.84 DRD2 (0.63) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11064417 0.84 DRD2 (0.76) KCNH2DRD2DRD3DRD4HTR1A
SCHEMBL11069040 0.84 DRD2 (0.61) KCNH2DRD2DRD3DRD4HTR1A
SCHEMBL11071886 0.84 DRD2 (0.63) DRD2DRD3DRD4HTR1AHTR2A

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