SCHEMBL15547709

SCHEMBL15547709

Nc1ccc(CC(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.46
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
IDO1 P14902 4/20 0.38
KIF11 P52732 2/20 0.37
NR1H2 P55055 1/20 0.36
MAPK1 P28482 3/20 0.35
MAPT P10636 3/20 0.35
AGXT P21549 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
AKR1B1 P15121 1/20 0.32
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL17726213 0.81 ADRA2B (0.45) ADRA2BTSHRGAAGLAPOLB
SCHEMBL9904799 0.81 TSHR (0.43) TSHRGAAGLAPOLBMAPK1
SCHEMBL6447369 0.80 TSHR (0.40) ADRA2BTSHRGAAGLAPOLB
SCHEMBL1381639 0.80 IDO1 (0.50) IDO1AGXTALDH1A1KDM4E
SCHEMBL31175766 0.79 ADRA2B (0.50) ADRA2BTSHRGAAGLAPOLB
SCHEMBL26037690 0.79 ADRA2B (0.50) ADRA2BTSHRGAAGLAPOLB
SCHEMBL7239671 0.77 TAAR1 (0.54) ADRA2BMAPK1MAPTTDP1KDM4E
SCHEMBL4332045 0.77 ADRA2B (0.49) ADRA2BTSHRGAAIDO1MAPK1
SCHEMBL21089028 0.77 ADRA2B (0.49) ADRA2BTSHRGAAGLAPOLB
SCHEMBL461891 0.77 HTR2A (0.40) TSHRPOLBIDO1NR1H2MAPK1

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-2854814-A2 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS Corcept Therapeutics, Inc. (US) 2015-04-08 EP disclosed
WO-2013177559-A2 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2013-11-28 WO disclosed