SCHEMBL11064993

SCHEMBL11064993

CC(=O)C1(c2ccccc2)CCN(CCCOc2cccc3c2N(C)C(=O)CC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
TACR2 P21452 2/20 0.45
TACR1 P25103 2/20 0.45
TACR3 P29371 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GAA P10253 1/20 0.42
KCNA3 P22001 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
OPRM1 P35372 1/20 0.40
S1PR5 Q9H228 2/20 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
SCHEMBL11071804 0.83 HTR7 (0.53) HTR7GAAKCNA3MAPTDRD2
SCHEMBL11064059 0.80 HRH3 (0.46) HTR7TACR2TACR1TACR3HRH3
SCHEMBL11067562 0.77 HTR7 (0.53) HTR7GAAKCNA3MAPTDRD2
SCHEMBL11066798 0.76 HTR7 (0.42) HTR7TACR2TACR1TACR3HRH3
SCHEMBL11063730 0.76 TACR2 (0.43) HTR7TACR2TACR1TACR3HRH3
SCHEMBL11063139 0.75 DRD3 (0.47) HTR7KCNA3DRD2DRD4DRD3
SCHEMBL11071377 0.73
SCHEMBL11060233 0.73 CHRM1 (0.50) DRD2DRD4DRD3
SCHEMBL11065503 0.73 OPRM1 (0.53) HTR7TACR2TACR1TACR3GAA
SCHEMBL27651992 0.73 GAA (0.52) HTR7TACR2TACR1TACR3GAA

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