SCHEMBL10769737

SCHEMBL10769737

CC(=O)N1CCN(c2cc(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 6/20 0.44
POLB P06746 3/20 0.42
CACNA1F O60840 1/20 0.42
MAPK1 P28482 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
HPGD P15428 4/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39
GSK3B P49841 2/20 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
SCHEMBL9501954 0.83 KCNH2 (0.58) KCNH2HRH3KDM4EALDH1A1POLB
SCHEMBL9504545 0.81 KCNH2 (0.63) KCNH2HRH3KDM4EALDH1A1POLB
SCHEMBL9873805 0.77 CACNA1F (0.69) KCNH2KDM4EALDH1A1POLBCACNA1F
SCHEMBL10813681 0.76 KDM4E (0.74) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9503714 0.73 KCNH2 (0.51) KCNH2HRH3KDM4EALDH1A1POLB
SCHEMBL10570462 0.70 KCNH2 (0.67) KCNH2HRH3KDM4EALDH1A1POLB
SCHEMBL8325557 0.70 CHRM2 (0.49) KCNH2HRH3KDM4EALDH1A1POLB
SCHEMBL8325559 0.70 CHRM2 (0.49) KCNH2HRH3KDM4EALDH1A1POLB
SCHEMBL30564254 0.69 KDM4E (0.81) KCNH2KDM4EALDH1A1POLBHPGD
SCHEMBL8199125 0.68 KCNH2 (0.74) KCNH2HRH3KDM4EALDH1A1POLB

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
EP-0221463-A2 Quinoline derivatives and processes for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1987-05-13 EP disclosed