SCHEMBL7375804

SCHEMBL7375804

COc1cccc(CNC[C@@H](O)COc2ccc3[nH]c(=O)ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
BCHE P06276 1/20 0.46
ADRB3 P13945 4/20 0.46
DNM1 Q05193 1/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CASR P41180 2/20 0.45
KCNH2 Q12809 1/20 0.44
ADRB1 P08588 2/20 0.44
MEN1 O00255 2/20 0.43
KDM1A O60341 1/20 0.43
ADRB2 P07550 1/20 0.43
FLT3 P36888 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL7329866 1.00 KDM4E (0.47) KDM4EBCHEADRB3DNM1KMT2A
SCHEMBL6650940 1.00 KDM4E (0.47) KDM4EBCHEADRB3DNM1KMT2A
Hydrochloric Acid SCHEMBL6650330 0.99 KDM4E (0.47) KDM4EBCHEADRB3DNM1KMT2A
SCHEMBL7319894 0.93 KCNH2 (0.43) BCHEADRB3KMT2AALDH1A1KCNH2
SCHEMBL7322923 0.92 TP53 (0.47) ADRB3KMT2AKCNH2ADRB1MEN1
Hydrochloric Acid SCHEMBL7330275 0.91 TP53 (0.46) ADRB3KMT2AKCNH2ADRB1MEN1
Hydrochloric Acid SCHEMBL7372909 0.91 TP53 (0.46) ADRB3KMT2AKCNH2ADRB1MEN1
Hydrochloric Acid SCHEMBL7323407 0.91 TP53 (0.46) ADRB3KMT2AKCNH2ADRB1MEN1
SCHEMBL7323740 0.91 KCNH2 (0.46) KDM4EADRB3KMT2AALDH1A1CASR
SCHEMBL7323728 0.91 KCNH2 (0.46) KDM4EADRB3KMT2AALDH1A1CASR

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 5 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