SCHEMBL27705296

SCHEMBL27705296

CCN(C)C(C)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRK1 P41145 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 2/20 0.40
AOC3 Q16853 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 5/20 0.38
MAOA P21397 3/20 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
SCHEMBL8614055 0.83 BCHE (0.46) ADRA2BHTR2AKCNH2TSHRAOC3
SCHEMBL10782592 0.82 TSHR (0.44) ADRA2BADRA2CADRA1AOPRK1SLC6A2
Hydrochloric Acid SCHEMBL9057851 0.81 BCHE (0.44) ADRA2BHTR2AKCNH2TSHRAOC3
SCHEMBL20028832 0.79 SLC1A3 (0.46) TSHRAOC3MMP9MMP8MAPT
SCHEMBL8767732 0.79 TSHR (0.42) ADRA1ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL11675406 0.78 TSHR (0.40) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL4505788 0.76 RCE1 (0.39) ADRA2BADRA2CADRA1AOPRK1SLC6A2
SCHEMBL11674436 0.76 BCHE (0.39) ADRA1AOPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL19575325 0.76 TACR1 (0.41) TSHRMMP9MMP8MAOBKMT2A
SCHEMBL11465303 0.76 TSHR (0.43) ADRA2BADRA2CADRA1AOPRK1SLC6A2

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
CN-101203214-B Beta-2 adrenoceptor agonists for treating connective tissue diseases of the skin ASTION DEV AS 2012-11-21 CN disclosed
CN-101203214-A Beta-2 adrenoceptor agonists for treating connective tissue diseases of the skin ASTION DEV AS (DK) 2008-06-18 CN disclosed