SCHEMBL7326199

SCHEMBL7326199

CCCN(Cc1ccc(OC)c(OC)c1)CC(O)COc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.40
NR1H3 Q13133 1/20 0.40
FAAH O00519 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP51A1 Q16850 1/20 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
SCHEMBL7330597 0.90 KCNH2 (0.49) MEN1KMT2AKCNH2POLBALDH1A1
SCHEMBL7320320 0.82 ALDH1A1 (0.49) MEN1KMT2AKCNH2POLBALDH1A1
SCHEMBL7328754 0.81 KCNH2 (0.46) KCNH2ALDH1A1KDM4ETSHRHPGD
SCHEMBL7356859 0.81 ALDH1A1 (0.63) MEN1KMT2AKCNH2POLBALDH1A1
SCHEMBL7322721 0.81 POLB (0.50) MEN1KMT2AKCNH2POLBALDH1A1
SCHEMBL7330480 0.81 ALDH1A1 (0.52) MEN1KMT2AKCNH2POLBALDH1A1
Toborinone SCHEMBL29856392 0.80 ADRB3 (0.49) KMT2AKCNH2KDM4E
Toborinone SCHEMBL7322759 0.80 ADRB3 (0.49) KMT2AKCNH2KDM4E
Toborinone SCHEMBL563955 0.80 ADRB3 (0.49) KMT2AKCNH2KDM4E
SCHEMBL7353774 0.80 ALDH1A1 (0.53) KCNH2POLBALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed