SCHEMBL6558548

SCHEMBL6558548

CN(C)c1ccc(C(O)(c2ccccc2)c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.56
CYP3A4 P08684 2/20 0.51
CYP3A5 P20815 1/20 0.51
CYP19A1 P11511 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
KCNH2 Q12809 1/20 0.50
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KCNN4 O15554 1/20 0.43
CYP2D6 P10635 1/20 0.41
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD11B1 P28845 1/20 0.37
BCL2 P10415 1/20 0.37

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
SCHEMBL21436568 0.97 SLC2A1 (0.60) SLC2A1CYP3A4CYP3A5CYP19A1HTR2A
SCHEMBL2131459 0.84 CYP3A4 (0.60) CYP3A4CYP3A5CYP19A1HTR2AHTR2C
SCHEMBL30114522 0.84 CYP3A4 (0.60) CYP3A4CYP3A5CYP19A1HTR2AHTR2C
SCHEMBL1450207 0.82 SLC2A1 (0.83) SLC2A1CYP3A4CYP19A1CRHBPCRHR2
SCHEMBL14384030 0.82 SLC2A1 (0.83) SLC2A1CYP3A4CYP19A1CRHBPCRHR2
SCHEMBL7590526 0.82 SLC2A1 (0.58) SLC2A1CYP3A4HTR2AHTR2CADRA1A
SCHEMBL14156831 0.81 CYP3A4 (0.55) CYP3A4CYP3A5CYP19A1HTR2AHTR2C
SCHEMBL675338 0.81 CYP3A4 (0.71) CYP3A4CYP3A5CYP19A1HTR2AHTR2C
Hydrochloric Acid SCHEMBL29837416 0.81 SLC2A1 (0.79) SLC2A1CYP3A4CYP19A1CRHBPCRHR2
SCHEMBL6369689 0.80 KCNN4 (0.57) CYP3A4CYP3A5CYP19A1HTR2AHTR2C

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 8 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
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO disclosed