SCHEMBL7273191

SCHEMBL7273191

CCN(C)c1cccc(N(C)CC)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A3 P47895 2/20 0.36
ALDH3A1 P30838 1/20 0.36
CYP2A6 P11509 2/20 0.34
CYP2A13 Q16696 1/20 0.34
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
HTR6 P50406 2/20 0.33
RAB9A P51151 1/20 0.33
C5AR1 P21730 1/20 0.32
EDNRA P25101 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL7280841 0.79 LMNA (0.48) TDP1HTTL3MBTL1CYP1A2CYP2C19
SCHEMBL3743837 0.76 TDP1 (0.35) TDP1HTTL3MBTL1CYP1A2CYP2C19
SCHEMBL9099245 0.74 KDM4E (0.41) TDP1HTTL3MBTL1ALDH1A1MEN1
SCHEMBL31718392 0.74 SIGMAR1 (0.37) TDP1HTTL3MBTL1CYP1A2CYP2C19
SCHEMBL2489167 0.73 KDM4E (0.45) TDP1HTTL3MBTL1CYP1A2CYP2C19
SCHEMBL7273186 0.71 CYP1A2 (0.34) TDP1HTTL3MBTL1CYP1A2CYP2C19
SCHEMBL4976591 0.70 ALDH1A1 (0.34) TDP1HTTL3MBTL1CYP1A2CYP2C19
SCHEMBL30450577 0.70 CHEK1 (0.42) TDP1HTTL3MBTL1CYP1A2CYP2C19
SCHEMBL5637004 0.70 CHEK1 (0.42) TDP1HTTL3MBTL1CYP1A2CYP2C19
SCHEMBL2495979 0.70 MGLL (0.41) HTTL3MBTL1ALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470514-B1 Carbostyril derivatives and pharmaceutical composition containing the same OTSUKA PHARMA CO LTD (JP) 1997-02-19 EP disclosed
US-5300513-A Vasopressin antagonists; vasodilators, hypotensive agents, water diuretics, and platelet agglutination inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-05 US disclosed
EP-0470514-A1 Carbostyril derivatives and pharmaceutical composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-02-12 EP disclosed