SCHEMBL3990199

SCHEMBL3990199

CCOCC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3914107 0.82 ALDH1A1 (0.51) POLBALDH1A1GAAMAPTTSHR
SCHEMBL3917694 0.78 TSHR (0.55) ALDH1A1TSHRLMNAHTTKMT2A
SCHEMBL3919293 0.78 TSHR (0.47) POLBALDH1A1MAPTTSHRLMNA
SCHEMBL6948417 0.77 ALDH1A1 (0.81) POLBALDH1A1GAALMNAL3MBTL1
SCHEMBL2839822 0.77 MEN1 (0.75) POLBLMNAHTTKMT2AMEN1
SCHEMBL3924077 0.77 HSD11B1 (0.63) POLBALDH1A1MAPTTSHRLMNA
SCHEMBL3917525 0.75 TSHR (0.53) ALDH1A1TSHRLMNAHTTKMT2A
SCHEMBL4541451 0.75 TSHR (0.52) ALDH1A1TSHRLMNAHTTKMT2A
SCHEMBL3917555 0.75 POLB (0.53) POLBALDH1A1GAAMAPTTSHR
SCHEMBL31315858 0.75 ALDH1A1 (0.65) POLBALDH1A1TSHRLMNAHTT

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-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP disclosed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO disclosed