SCHEMBL2935686

SCHEMBL2935686

C1=C(Cc2nccc3ccccc23)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 4/20 0.39
CYP2A6 P11509 1/20 0.38
F12 P00748 1/20 0.38
PLAU P00749 1/20 0.38
NCF1 P14598 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
GRM5 P41594 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.36

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
SCHEMBL8519177 0.77 PDE10A (0.62) HPGDALDH1A1KDM4ERAB9AACHE
SCHEMBL27373826 0.75 PLAU (0.37) ALDH1A1RAB9ACYP2A6F12PLAU
SCHEMBL232662 0.71 ACHE (0.49) RAB9ACYP2A6F12PLAUNCF1
SCHEMBL29373118 0.71 ACHE (0.49) RAB9ACYP2A6F12PLAUNCF1
SCHEMBL7826992 0.71 ACHE (0.39) ALDH1A1RAB9ACYP2A6F12PLAU
SCHEMBL28444367 0.70 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2CYP1A2GRM5TDP1
SCHEMBL30542089 0.69 ACHE (0.48) RAB9ACYP2A6F12PLAUNCF1
Bromide SCHEMBL28325156 0.69 ACHE (0.48) RAB9ACYP2A6F12PLAUNCF1
SCHEMBL1445724 0.69 ADRA2A (0.53) ALDH1A1KDM4ERAB9ACYP2A6F12
Bromide SCHEMBL5146705 0.69 ACHE (0.48) RAB9ACYP2A6F12PLAUNCF1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075385-A1 O-Methyltransferases of Tetrahydrobenzylisoquinoline Alkaloid Biosynthesis in Papaver Somniferum DONALD DANFORTH PLANT SCIENCE CENTER (US) 2010-03-25 US claimed
US-20090222957-A1 REGULATORY PROTEIN-REGULATORY REGION ASSOCIATIONS RELATED TO ALKALOID BIOSYNTHESIS CERES INC. (US) 2009-09-03 US claimed
EP-1866418-A2 MODULATING PLANT ALKALOIDS Ceres Inc. (US) 2007-12-19 EP claimed
WO-2007117693-A2 REGULATORY PROTEIN-REGULATORY REGION ASSOCIATIONS RELATED TO ALKALOID BIOSYNTHESIS CERES, INC. (US) 2007-10-18 WO claimed
WO-2006091676-A2 MODULATING PLANT ALKALOIDS CERES INC. (US) 2006-08-31 WO claimed
WO-2005021763-A2 O-METHYLTRANSFERASES OF TETRAHYDROBENZYLISOQUINOLINE ALKALOID BIOSYNTHESIS IN PAPAVER SOMNIFERUM JOHNSON & JOHNSON RESEARCH PTY LTD (AU) 2005-03-10 WO claimed
EP-1512748-A1 O-methyltransferases of tetrahydrobenzylisoquinoline alkaloid biosynthesis in papaver somniferum Johnson & Johnson Research Pty Limited (AU) 2005-03-09 EP claimed
WO-2004084801-A2 TREATMENTS FOR LEISHMANIASIS SMITHSONIAN TROPICAL RESEARCH INSTITUTE (US) 2004-10-07 WO claimed
CN-107778235-B New crystal form of tetrahydrobenzyl isoquinoline compound and preparation method and application thereof 四川科瑞德制药股份有限公司 2026-02-27 CN disclosed
CN-107778235-B New crystal form of tetrahydrobenzyl isoquinoline compound and preparation method and application thereof 四川科瑞德制药股份有限公司 2026-02-27 CN disclosed
CN-114716375-A Preparation method of tetrahydrobenzyl isoquinoline compound 四川科瑞德制药股份有限公司 2022-07-08 CN disclosed
CN-114716375-A Preparation method of tetrahydrobenzyl isoquinoline compound 四川科瑞德制药股份有限公司 2022-07-08 CN disclosed
CN-114716375-A Preparation method of tetrahydrobenzyl isoquinoline compound 四川科瑞德制药股份有限公司 2022-07-08 CN disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
WO-2003000898-A1 PLANT GENES INVOLVED IN DEFENSE AGAINST PATHOGENS SYNGENTA PARTICIPATIONS AG (CH) 2003-01-03 WO disclosed
US-20020142281-A1 Method for modifying a biosynthetic pathway MENDEL BIOTECHNOLOGY, INC. 2002-10-03 US disclosed
WO-2002074917-A2 METHOD FOR MODIFYING A BIOLOGICAL PATHWAY MENDEL BIOTECHNOLOGY, INC. (US) 2002-09-26 WO disclosed
EP-1173459-A4 CODEINONE REDUCTASE FROM ALKALOID POPPY JOHNSON & JOHNSON RES PTY LTD (AU) 2002-09-11 EP disclosed
EP-1173459-A1 CODEINONE REDUCTASE FROM ALKALOID POPPY Johnson & Johnson Research Pty Limited (AU) 2002-01-23 EP disclosed
WO-2000058333-A1 CODEINONE REDUCTASE FROM ALKALOID POPPY JOHNSON & JOHNSON RESEARCH PTY. LIMITED (AU) 2000-10-05 WO disclosed