SCHEMBL6377136

SCHEMBL6377136

COc1cc(Cc2ccccc2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.61
LOX P28300 2/20 0.61
LTA4H P09960 3/20 0.48
PLA2G7 Q13093 1/20 0.47
PDE2A O00408 1/20 0.44
GRM2 Q14416 1/20 0.43
CALM1 P0DP23 1/20 0.43
FFAR1 O14842 1/20 0.40
HTT P42858 1/20 0.40
WNT3A P56704 1/20 0.39
NOS2 P35228 1/20 0.39
IDH1 O75874 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL2964822 0.86 LOXL2 (0.61) LOXL2LOXPLA2G7FFAR1MAOB
SCHEMBL6194039 0.79 FFAR1 (0.42) LOXL2LOXLTA4HPLA2G7PDE2A
SCHEMBL805488 0.77 LOXL2 (0.69) LOXL2LOXFFAR1NOS2
Hydrochloric Acid SCHEMBL4833877 0.77 LOXL2 (0.54) LOXL2LOXPLA2G7PDE2AFFAR1
SCHEMBL29223016 0.77 LOXL2 (0.54) LOXL2LOXPLA2G7FFAR1MAOB
SCHEMBL178404 0.76 LOXL2 (0.62) LOXL2LOXFFAR1
SCHEMBL501711 0.76 MAOB (0.60) LOXL2LOXMAOB
SCHEMBL2224895 0.76 LOXL2 (0.67) LOXL2LOXPLA2G7GRM2FFAR1
SCHEMBL130180 0.76 LOXL2 (0.67) LOXL2LOXPLA2G7GRM2FFAR1
SCHEMBL2092744 0.76 LOXL2 (0.67) LOXL2LOXFFAR1NOS2

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
CN-104507940-B Heterocyclic compounds 武田药品工业株式会社 2017-01-25 CN disclosed
CN-100334085-C Quinuclidine compound and medicine containing the same as active ingredient EISAI R & D CO LTD (JP) 2007-08-29 CN disclosed
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
CN-1377349-A Quinuclidine compound and medicine containing the same as active ingredient EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed