SCHEMBL7324680

SCHEMBL7324680

COc1ccnc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
KDM1A O60341 1/20 0.41
ROCK2 O75116 1/20 0.40
KDM4E B2RXH2 6/20 0.40
IDH1 O75874 1/20 0.39
CASR P41180 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB3 P13945 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
XDH P47989 1/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 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 SCHEMBL7329773 0.86 KCNH2 (0.51) KCNH2KDM1AKDM4EIDH1ALDH1A1
SCHEMBL7330564 0.86 KMT2A (0.51) KCNH2CASRADRB3ALDH1A1NPC1
SCHEMBL7323728 0.85 KCNH2 (0.46) KCNH2KDM1AKDM4ECASRADRB2
Hydrochloric Acid SCHEMBL6649070 0.85 KMT2A (0.50) KCNH2KDM4ECASRADRB3ALDH1A1
Hydrochloric Acid SCHEMBL7379169 0.85 KMT2A (0.50) KCNH2KDM4ECASRADRB3ALDH1A1
SCHEMBL7323740 0.85 KCNH2 (0.46) KCNH2KDM1AKDM4ECASRADRB2
SCHEMBL6650940 0.85 KDM4E (0.47) KCNH2KDM1AKDM4ECASRADRB2
SCHEMBL7375804 0.85 KDM4E (0.47) KCNH2KDM1AKDM4ECASRADRB2
SCHEMBL7329866 0.85 KDM4E (0.47) KCNH2KDM1AKDM4ECASRADRB2
Hydrochloric Acid SCHEMBL7324657 0.84 KCNH2 (0.46) KCNH2KDM1AKDM4ECASRADRB2

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