SCHEMBL7329640

SCHEMBL7329640

COc1cccc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
DRD2 P14416 3/20 0.42
KDM1A O60341 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APAF1 O14727 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 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
SCHEMBL7324173 0.92 TP53 (0.46) KCNH2DRD2KDM1AADRB2ADRB1
Hydrochloric Acid SCHEMBL7324649 0.85 KCNH2 (0.44) KCNH2KDM1AADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL7330177 0.85 APLNR (0.44) KCNH2KDM1AKDM4EAPAF1MAPT
Toborinone SCHEMBL29856392 0.82 ADRB3 (0.49) KCNH2ADRB2ADRB1ADRB3KDM4E
Toborinone SCHEMBL563955 0.82 ADRB3 (0.49) KCNH2ADRB2ADRB1ADRB3KDM4E
Toborinone SCHEMBL7322759 0.82 ADRB3 (0.49) KCNH2ADRB2ADRB1ADRB3KDM4E
SCHEMBL6650940 0.82 KDM4E (0.47) KCNH2KDM1AADRB2ADRB1ADRB3
SCHEMBL7375804 0.82 KDM4E (0.47) KCNH2KDM1AADRB2ADRB1ADRB3
SCHEMBL7329866 0.82 KDM4E (0.47) KCNH2KDM1AADRB2ADRB1ADRB3
SCHEMBL7321692 0.82 KCNH2 (0.46) KCNH2KDM1AADRB2ADRB1ADRB3

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