SCHEMBL6556889

SCHEMBL6556889

CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(C(F)(F)F)ccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.42
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42
HSD11B1 P28845 1/20 0.38
SLC2A1 P11166 2/20 0.38
KCNH2 Q12809 3/20 0.37
SLC6A4 P31645 3/20 0.37
HTR2A P28223 2/20 0.37
TSHR P16473 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
KDM1A O60341 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSC P53634 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6557047 0.82 SLC2A1 (0.46) CYP2D6HTTSLC2A1SLC6A4TSHR
SCHEMBL6558728 0.80 ALDH1A1 (0.43) HTTSLC2A1TSHRCYP1A2CYP3A4
SCHEMBL6558698 0.77 SLC2A1 (0.41) HTTSLC2A1SLC6A4TSHRCYP1A2
SCHEMBL8053600 0.77 SLC2A1 (0.41) HTTSLC2A1TSHRCYP1A2CYP3A4
SCHEMBL6556784 0.77 ALDH1A1 (0.47) HTTHSD11B1SLC2A1SLC6A4HTR2A
SCHEMBL11231431 0.76 CYP2D6 (0.50) CYP2D6HTTCYP1A2CYP3A4MAPT
SCHEMBL6557998 0.76 SLC2A1 (0.46) HTTSLC2A1SLC6A4TSHRCYP1A2
SCHEMBL22278541 0.74 SLC2A1 (0.49) SLC2A1KCNH2TSHRCYP1A2CYP3A4
SCHEMBL6556691 0.73 SLC2A1 (0.43) HTTSLC2A1SLC6A4TSHRCYP1A2
SCHEMBL22930904 0.73 PDE2A (0.54) PDE2AHSD11B1KCNH2SLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP claimed
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed