SCHEMBL3657435

SCHEMBL3657435

O=C1N[C@H](c2ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c2)CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
GRIN2B Q13224 2/20 0.33
AR P10275 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A3 Q01959 2/20 0.30
ALPL P05186 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
RUNX1 Q01196 1/20 0.30
ATM Q13315 1/20 0.30
CBFB Q13951 1/20 0.30
RCE1 Q9Y256 1/20 0.30

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
SCHEMBL3657437 1.00 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3656036 0.86 DRD2 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3654928 0.85 DRD2 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3656922 0.81 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3656926 0.81 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL26670331 0.81 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL19555030 0.75 SLC6A2 (0.46) SLC6A2SLC6A3GAA
SCHEMBL6139843 0.71 PPARG (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3654227 0.71 HSD11B1 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6139651 0.70 TSHR (0.41) KDM4EALDH1A1HPGD

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-2217592-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009058300-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed