SCHEMBL6556723

SCHEMBL6556723

CN(C)c1ccccc1C(c1ccccc1)c1ccc(Cl)cc1N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
KCNQ2 O43526 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
TP53 P04637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL6247039 0.85 HTR2A (0.40) KMT2AGAALMNACYP2C9MEN1
SCHEMBL6557912 0.79 SLC2A1 (0.41) KMT2ACYP1A2MEN1ALDH1A1SLC6A2
SCHEMBL6556912 0.77 AOC3 (0.36) IDO1TDO2KMT2AGAALMNA
SCHEMBL14509976 0.77 OPRM1 (0.43) KMT2AGAALMNANPSR1CYP3A4
SCHEMBL6556743 0.76 ALDH1A1 (0.46) KMT2ALMNAHTTCYP1A2CYP3A4
SCHEMBL30125097 0.73 MAPT (0.43) KMT2AGAALMNANPSR1CYP2C9
SCHEMBL657406 0.73 MAPT (0.43) KMT2AGAALMNANPSR1CYP2C9
SCHEMBL21725473 0.72 KMT2A (0.47) KMT2AGAALMNANPSR1HTT
SCHEMBL10753818 0.71 MAPT (0.37) KMT2AGAALMNANPSR1CYP3A4
SCHEMBL51321 0.69 TYR (0.44) IDO1TDO2KMT2ALMNANPSR1

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 7 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
JP-2002521430-A 2002-07-16 JP claimed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP claimed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO claimed
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP disclosed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP disclosed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed