SCHEMBL6380688

SCHEMBL6380688

COc1nnc(-c2ccccc2)cc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
SQOR Q9Y6N5 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
TACR3 P29371 1/20 0.40
LTA4H P09960 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MET P08581 1/20 0.39
GPR55 Q9Y2T6 2/20 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
SCHEMBL6378848 0.76 ADORA2A (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL17450996 0.76 RAB9A (0.48) SQORMEN1KMT2AMAPTTSHR
SCHEMBL17450614 0.76 MAPT (0.59) KMT2AMAPTCYP11B1CYP11B2LTA4H
SCHEMBL17633538 0.76 RAB9A (0.51) MEN1KMT2AMAPTATMCYP11B1
SCHEMBL1753086 0.76 SLC5A2 (0.53) MEN1KMT2AMAPTCYP11B1CYP11B2
SCHEMBL1752842 0.76 CASP1 (0.47) MEN1KMT2ATSHRCYP11B1CYP11B2
SCHEMBL1752806 0.75 SQOR (0.53) SQORMEN1KMT2AMAPTTSHR
SCHEMBL581809 0.75 SMN1; SMN2 (0.53) SQORMEN1KMT2AMAPTTSHR
SCHEMBL4062873 0.73 SQOR (0.47) SQORMEN1KMT2AMAPTTSHR
SCHEMBL581362 0.73 SMN1; SMN2 (0.51) SQORMEN1KMT2AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed