SCHEMBL7327468

SCHEMBL7327468

Cc1ccc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 3/20 0.47
PIK3CG P48736 1/20 0.47
TP53 P04637 1/20 0.45
KDM1A O60341 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 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
SCHEMBL7330564 0.92 KMT2A (0.51) NPC1ADRB3KCNH2KMT2ATP53
Hydrochloric Acid SCHEMBL7379169 0.91 KMT2A (0.50) NPC1ADRB3KCNH2KMT2ATP53
Hydrochloric Acid SCHEMBL6649070 0.91 KMT2A (0.50) NPC1ADRB3KCNH2KMT2ATP53
Hydrochloric Acid SCHEMBL7329593 0.90 TP53 (0.56) NPC1ADRB2ADRB1ADRB3KCNH2
SCHEMBL7329019 0.90 NPC1 (0.57) NPC1ADRB2ADRB1ADRB3KCNH2
SCHEMBL7329857 0.90 KCNH2 (0.59) NPC1ADRB2ADRB1ADRB3KCNH2
SCHEMBL7331220 0.90 NPC1 (0.57) NPC1ADRB2ADRB1ADRB3KCNH2
SCHEMBL7323164 0.90 NPC1 (0.57) NPC1ADRB2ADRB1ADRB3KCNH2
Hydrochloric Acid SCHEMBL7377592 0.89 KCNH2 (0.58) NPC1ADRB2ADRB1ADRB3KCNH2
Hydrochloric Acid SCHEMBL7326676 0.89 KCNH2 (0.58) NPC1ADRB2ADRB1ADRB3KCNH2

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