SCHEMBL7323934

SCHEMBL7323934

CN(Cc1cc(Cl)ccn1)CC(O)COc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM1A O60341 2/20 0.42
F11 P03951 1/20 0.39
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PTAFR P25105 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PMP22 Q01453 1/20 0.39

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
Water SCHEMBL7331278 0.89 KCNH2 (0.43) KCNH2KMT2AMEN1KDM1APDE3B
SCHEMBL6652643 0.87 MEN1 (0.48) KCNH2KMT2AMEN1KDM1APDE3B
SCHEMBL7332255 0.85 KCNH2 (0.57) KCNH2KMT2AMEN1KDM1AF11
SCHEMBL7321388 0.81 KDM1A (0.49) KCNH2KMT2AMEN1KDM1AKDM4E
Water SCHEMBL7329773 0.81 KCNH2 (0.51) KCNH2KMT2AMEN1KDM1AF11
SCHEMBL7320830 0.81 MEN1 (0.62) KCNH2KMT2AMEN1KDM1APDE3B
SCHEMBL7325519 0.81 MEN1 (0.62) KCNH2KMT2AMEN1KDM1APDE3B
SCHEMBL6651085 0.81 MEN1 (0.62) KCNH2KMT2AMEN1KDM1APDE3B
SCHEMBL7333007 0.79 KMT2A (0.48) KCNH2KMT2AMEN1KDM1APDE3B
SCHEMBL7332458 0.77 MEN1 (0.53) KCNH2KMT2AMEN1KDM1APDE3B

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