SCHEMBL11066798

SCHEMBL11066798

C=CCN1C(=O)CCc2c(OCCCN3CCC(C(C)=O)(c4ccccc4)CC3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
TACR3 P29371 1/20 0.41
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL10567416 0.81 SIGMAR1 (0.54) SIGMAR1HRH3DRD2DRD4DRD3
SCHEMBL11067562 0.78 HTR7 (0.53) HTR7MAPTGAADRD2DRD4
SCHEMBL11070246 0.78 DRD4 (0.55) SIGMAR1HRH3DRD2DRD4DRD3
SCHEMBL11064993 0.76 HTR7 (0.51) HTR7TACR2TACR1TACR3MAPT
SCHEMBL11072709 0.75 MEN1 (0.47) HTR7SIGMAR1HRH3DRD2DRD3
SCHEMBL11065111 0.73 SIGMAR1 (0.53) HTR7SIGMAR1DRD2DRD4DRD3
SCHEMBL11066815 0.73 ABCB1 (0.52) GAA
SCHEMBL11071804 0.73 HTR7 (0.53) HTR7MAPTGAADRD2DRD4
SCHEMBL11070828 0.71 OPRL1 (0.47) TACR1SIGMAR1
SCHEMBL11362472 0.71 HTR6 (0.41) GAADRD3

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