SCHEMBL11064138

SCHEMBL11064138

O=C1CCc2cc(OCC(O)CN3CCC(c4ccccc4)CC3)ccc2N1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.64
KDM1A O60341 1/20 0.55
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
SCN1A P35498 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
HTR7 P34969 1/20 0.49
PRMT5 O14744 2/20 0.48
WDR77 Q9BQA1 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
ADORA2A P29274 1/20 0.48
SLC18A3 Q16572 1/20 0.47

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 0.93 KCNH2 (0.54) KCNH2MAOAMAOBSCN1ASCN5A
SCHEMBL11069966 0.87 DRD4 (0.63) KCNH2MAOAMAOBGAA
SCHEMBL2017735 0.87 KCNH2 (0.78) KCNH2HTR7LMNA
SCHEMBL2020554 0.87 KCNH2 (0.78) KCNH2HTR7LMNA
SCHEMBL2017738 0.87 KCNH2 (0.78) KCNH2HTR7LMNA
SCHEMBL15586801 0.86 DRD4 (0.64) KCNH2KDM1AMAOAMAOBSCN1A
SCHEMBL15586823 0.86 DRD4 (0.64) KCNH2KDM1AMAOAMAOBSCN1A
SCHEMBL2020104 0.85 KCNH2 (0.82) KCNH2HTR7LMNA
SCHEMBL2018563 0.85 KCNH2 (0.82) KCNH2HTR7LMNA
SCHEMBL2018560 0.85 KCNH2 (0.82) KCNH2HTR7LMNA

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