SCHEMBL7330758

SCHEMBL7330758

[CH2]CCOc1ccccc1OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 10/20 0.60
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 4/20 0.52
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
GLA P06280 1/20 0.50
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL11152823 0.89 L3MBTL1 (0.61) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL7470539 0.87 CYP1A2 (0.47) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL4920959 0.86 L3MBTL1 (0.76) L3MBTL1MAPTNPSR1TDP1CYP1A2
1,2-Diethoxybenzene SCHEMBL29428929 0.83 ALDH1A1 (0.68) L3MBTL1MAPTNPSR1TDP1CYP1A2
1,2-Diethoxybenzene SCHEMBL578986 0.83 ALDH1A1 (0.68) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL2001469 0.83 L3MBTL1 (0.58) L3MBTL1MAPTTDP1ALDH1A1HTR1A
SCHEMBL10566889 0.82 KDM4E (0.48) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL4619630 0.82 ALDH1A1 (0.56) L3MBTL1MAPTNPSR1TDP1CYP1A2
1-Ethoxy-2-Propoxybenzene SCHEMBL2919156 0.82 L3MBTL1 (0.64) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL1276613 0.82 L3MBTL1 (0.74) L3MBTL1MAPTNPSR1TDP1CYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1038586-C Pyrazine derivatives and process for preparing same OTSUKA PHARMA CO LTD (JP) 1998-06-03 CN disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
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
CN-1067053-A Pyrazines derivatives and preparation method thereof OTSUKA PHARMA CO LTD (JP) 1992-12-16 CN disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP 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
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US disclosed