SCHEMBL7323232

SCHEMBL7323232

[CH2]Cc1cccc(OCOC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
FYN P06241 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL14117318 0.83 KDM4E (0.56) MAOBFFAR1KDM4EALDH1A1TAAR1
SCHEMBL21116575 0.83 IDO1 (0.50) MAOBFFAR1KDM4EALDH1A1IDO1
SCHEMBL1607526 0.82 MAOB (0.48) MAOBFFAR1KDM4EALDH1A1
SCHEMBL6489910 0.81 MAOB (0.54) MAOBFFAR1TAAR1IDO1AGXT
SCHEMBL2438260 0.81 MAOB (0.43) MAOBFFAR1KDM4EALDH1A1TAAR1
SCHEMBL4401546 0.81 BCHE (0.44) MAOBFFAR1KDM4EALDH1A1TAAR1
SCHEMBL1135279 0.81 FYN (0.56) MAOBFFAR1KDM4EALDH1A1TAAR1
SCHEMBL27539786 0.81 MAOB (0.43) MAOBFFAR1KDM4EALDH1A1TAAR1
SCHEMBL131597 0.81 TP53 (0.55) KDM4EALDH1A1CHRM2CHRM1CHRM3
SCHEMBL12042852 0.81 ALDH1A1 (0.45) MAOBFFAR1KDM4EALDH1A1TAAR1

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