SCHEMBL7330564

SCHEMBL7330564

COc1ccc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
CASR P41180 1/20 0.48
ADRB3 P13945 9/20 0.48
KCNH2 Q12809 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.44

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
Hydrochloric Acid SCHEMBL7379169 0.99 KMT2A (0.50) KMT2AMEN1CASRADRB3KCNH2
Hydrochloric Acid SCHEMBL6649070 0.99 KMT2A (0.50) KMT2AMEN1CASRADRB3KCNH2
SCHEMBL7323728 0.93 KCNH2 (0.46) KMT2AMEN1CASRADRB3KCNH2
SCHEMBL7323740 0.93 KCNH2 (0.46) KMT2AMEN1CASRADRB3KCNH2
Hydrochloric Acid SCHEMBL7324657 0.92 KCNH2 (0.46) KMT2AMEN1CASRADRB3KCNH2
SCHEMBL7327468 0.92 NPC1 (0.57) KMT2AMEN1ADRB3KCNH2NPC1
SCHEMBL7329866 0.90 KDM4E (0.47) KMT2AMEN1CASRADRB3KCNH2
SCHEMBL6650940 0.90 KDM4E (0.47) KMT2AMEN1CASRADRB3KCNH2
Toborinone SCHEMBL7322759 0.90 ADRB3 (0.49) KMT2AADRB3KCNH2
Toborinone SCHEMBL29856392 0.90 ADRB3 (0.49) KMT2AADRB3KCNH2

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