SCHEMBL11066876

SCHEMBL11066876

Cc1cccc(C2CCN(CC(O)COc3ccc4c(c3)NC(=O)CC4)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
DRD2 P14416 1/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
MAOA P21397 7/20 0.47
MAOB P27338 7/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCN1A P35498 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL11073822 0.90 KCNH2 (0.54) KCNH2DRD2PRMT5WDR77MAOA
SCHEMBL11068217 0.90 KCNH2 (0.57) KCNH2DRD2PRMT5WDR77MAOA
SCHEMBL11063092 0.85 DRD2 (0.53) KCNH2DRD2MAOAMAOBSCN1A
SCHEMBL11073528 0.85 DRD2 (0.53) KCNH2DRD2MAOAMAOBSCN1A
SCHEMBL11066799 0.85 KCNH2 (0.65) KCNH2DRD2MAOAMAOB
SCHEMBL11070163 0.84 KCNH2 (0.51) KCNH2DRD2MAOAMAOB
SCHEMBL11064138 0.83 KCNH2 (0.64) KCNH2PRMT5WDR77MAOAMAOB
SCHEMBL11066202 0.82 SCN1A (0.54) KCNH2DRD2SCN1ASCN5ASCN9A
SCHEMBL11071360 0.80 MAOA (0.69) KCNH2DRD2MAOAMAOBGAA
SCHEMBL2053696 0.78 KCNH2 (0.73) KCNH2KMT2AMEN1MAPT

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