SCHEMBL7323728

SCHEMBL7323728

COc1cc(CNC[C@@H](O)COc2ccc3[nH]c(=O)ccc3c2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 3/20 0.43
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.43
CASR P41180 1/20 0.43
ADRB3 P13945 6/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ADRB2 P07550 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
SCHEMBL7323740 1.00 KCNH2 (0.46) KCNH2KMT2AKDM1AMEN1CASR
Hydrochloric Acid SCHEMBL7324657 0.99 KCNH2 (0.46) KCNH2KMT2AKDM1AMEN1CASR
SCHEMBL7330564 0.93 KMT2A (0.51) KCNH2KMT2AMEN1CASRADRB3
Hydrochloric Acid SCHEMBL6649070 0.92 KMT2A (0.50) KCNH2KMT2AMEN1CASRADRB3
Hydrochloric Acid SCHEMBL7379169 0.92 KMT2A (0.50) KCNH2KMT2AMEN1CASRADRB3
SCHEMBL7375804 0.91 KDM4E (0.47) KCNH2KMT2AKDM1AMEN1CASR
SCHEMBL7329866 0.91 KDM4E (0.47) KCNH2KMT2AKDM1AMEN1CASR
SCHEMBL6650940 0.91 KDM4E (0.47) KCNH2KMT2AKDM1AMEN1CASR
Hydrochloric Acid SCHEMBL6650330 0.90 KDM4E (0.47) KCNH2KMT2AKDM1AMEN1CASR
Hydrochloric Acid SCHEMBL7324649 0.88 KCNH2 (0.44) KCNH2KMT2AKDM1AMEN1ADRB3

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