SCHEMBL7330480

SCHEMBL7330480

CCCCN(Cc1ccccc1)CC(O)COc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 3/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 2/20 0.48
GAA P10253 1/20 0.48
FAAH O00519 1/20 0.46
ACHE P22303 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNH2 Q12809 3/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL7329843 0.91 POLB (0.60) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7325658 0.87 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7325519 0.85 MEN1 (0.62) ALDH1A1POLBMAPK1GAAFAAH
SCHEMBL6651085 0.85 MEN1 (0.62) ALDH1A1POLBMAPK1GAAFAAH
SCHEMBL7320830 0.85 MEN1 (0.62) ALDH1A1POLBMAPK1GAAFAAH
SCHEMBL7330597 0.85 KCNH2 (0.49) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7323865 0.85 MEN1 (0.46) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7320320 0.84 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7353774 0.84 ALDH1A1 (0.53) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7329615 0.82 POLB (0.47) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9

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