SCHEMBL3915047

SCHEMBL3915047

O=C1CN(S(=O)(=O)c2ccc(Br)cc2)CCN1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.78
GFER P55789 1/20 0.65
MMP2 P08253 1/20 0.51
PKM P14618 2/20 0.51
TDO2 P48775 1/20 0.50
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL2834639 0.88 GLA (1.00) GLAGFERMMP2TDO2LMNA
SCHEMBL3928664 0.84 GFER (0.69) GLAGFERMMP2PKMLMNA
SCHEMBL29764438 0.84 GFER (0.65) GLAGFERPKMTDO2RAB9A
SCHEMBL2989085 0.83 GFER (0.64) GLAGFERMMP2PKMTDO2
SCHEMBL23884729 0.81 GFER (0.62) GLAGFERPKMTDO2RAB9A
SCHEMBL15372156 0.80 GFER (0.64) GLAGFERPKMTDO2RAB9A
SCHEMBL18498622 0.80 GLA (0.58) GLAMMP2LMNATSHRHTT
SCHEMBL3824011 0.80 MAPT (0.69) GLAMMP2PKMLMNATSHR
Hydrochloric Acid SCHEMBL19857662 0.78 MAPT (0.67) GLAMMP2PKMLMNATSHR
SCHEMBL3225812 0.77 PKM (0.66) GLAGFERPKMTDO2RAB9A

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 4 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
WO-2007039580-A1 IMIDAZOLYL-SUBSTITUTED BENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed