SCHEMBL7325633

SCHEMBL7325633

CN(CC(O)COc1ccc2[nH]c(=O)ccc2c1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
KDM1A O60341 2/20 0.43
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PDE5A O76074 2/20 0.41
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PTAFR P25105 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL7323663 0.85 KCNH2 (0.48) KCNH2KDM1APDE3BPDE3AMEN1
SCHEMBL6652643 0.84 MEN1 (0.48) KCNH2KDM1APDE3BPDE3AMEN1
SCHEMBL7332759 0.80 KDM1A (0.50) KCNH2KDM1APDE3BPDE3AMEN1
SCHEMBL7320830 0.80 MEN1 (0.62) KCNH2KDM1APDE3BPDE3AMEN1
SCHEMBL6651085 0.80 MEN1 (0.62) KCNH2KDM1APDE3BPDE3AMEN1
SCHEMBL7325519 0.80 MEN1 (0.62) KCNH2KDM1APDE3BPDE3AMEN1
SCHEMBL6649402 0.79 KDM1A (0.47) KCNH2KDM1APDE3BPDE3AMEN1
SCHEMBL7331402 0.78 KCNH2 (0.44) KCNH2KDM1APDE3BPDE3AMEN1
SCHEMBL7323611 0.78 KDM1A (0.46) KCNH2KDM1APDE3BPDE3AMEN1
SCHEMBL7332778 0.78 KCNH2 (0.47) KCNH2KDM1APDE3BPDE3AMEN1

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