SCHEMBL11065637

SCHEMBL11065637

O=C1CCc2cc(OCCCN3CCC(O)(c4ccc(I)cc4)CC3)ccc2N1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.63
DRD3 P35462 3/20 0.63
DRD4 P21917 2/20 0.63
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
MAOA P21397 13/20 0.55
MAOB P27338 13/20 0.55

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
SCHEMBL11064161 0.92 DRD2 (0.73) DRD2DRD3DRD4MAOAMAOB
SCHEMBL11071886 0.90 DRD2 (0.63) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11064417 0.90 DRD2 (0.76) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11070256 0.90 DRD2 (0.63) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11070211 0.90 DRD2 (0.65) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11063552 0.84 DRD2 (0.62) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11068571 0.84 KCNH2 (0.64) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11062760 0.84 DRD2 (0.57) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11063747 0.83 DRD2 (0.88) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11065213 0.83 DRD2 (0.73) 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