SCHEMBL11068217

SCHEMBL11068217

O=C1CCc2ccc(OCC(O)CN3CCC(c4cccc(Cl)c4)CC3)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.57
MAOB P27338 3/20 0.52
DRD2 P14416 4/20 0.52
HTR7 P34969 1/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RECQL P46063 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
MAOA P21397 2/20 0.45
TP53 P04637 1/20 0.45
SCN1A P35498 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
CCR1 P32246 1/20 0.45
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL11066799 0.90 KCNH2 (0.65) KCNH2MAOBDRD2HTR7MAOA
SCHEMBL11073822 0.90 KCNH2 (0.54) KCNH2MAOBDRD2PRMT5WDR77
SCHEMBL11066876 0.90 KCNH2 (0.51) KCNH2MAOBDRD2MAPTPRMT5
SCHEMBL11066861 0.84 DRD2 (0.69) KCNH2MAOBDRD2HTR7MAPT
SCHEMBL11064138 0.83 KCNH2 (0.64) KCNH2MAOBHTR7LMNAPRMT5
SCHEMBL11070163 0.83 KCNH2 (0.51) KCNH2MAOBDRD2MAOADRD4
SCHEMBL11063092 0.82 DRD2 (0.53) KCNH2MAOBDRD2MAOASCN1A
SCHEMBL11073528 0.82 DRD2 (0.53) KCNH2MAOBDRD2MAOASCN1A
SCHEMBL11066202 0.80 SCN1A (0.54) KCNH2DRD2MAPTLMNASCN1A
SCHEMBL11071360 0.80 MAOA (0.69) KCNH2MAOBDRD2MAOADRD4

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