SCHEMBL5608059

SCHEMBL5608059

O=CC(Br)c1ccccc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.38
KCNK9 Q9NPC2 3/20 0.38
GAA P10253 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 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
SCHEMBL646644 0.80 KCNK3 (0.39) KCNK3KCNK9GAARXRARXRB
SCHEMBL27624241 0.79 KCNK3 (0.44) KCNK3KCNK9GAARXRARXRB
SCHEMBL27643692 0.79 CYP2D6 (0.36) KCNK3KCNK9GAARXRARXRB
SCHEMBL6442565 0.79 MAOA (0.37) ALDH1A1SLC6A4L3MBTL1MAOAMAOB
SCHEMBL27676041 0.78 SLC6A2 (0.39) KCNK3KCNK9GAARXRARXRB
SCHEMBL169082 0.78 CA1 (0.46) GAAALDH1A1L3MBTL1POLBNPSR1
SCHEMBL6445833 0.78 EPAS1 (0.34) CYP11B1CYP11B2FFAR4
SCHEMBL1047239 0.77 KCNK3 (0.47) KCNK3KCNK9GAARXRARXRB
SCHEMBL7339549 0.77 KCNK3 (0.40) KCNK3KCNK9GAARXRARXRB
SCHEMBL27703298 0.77 KCNK3 (0.43) KCNK3KCNK9GAARXRARXRB

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-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP disclosed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO disclosed