Methane

Methane

SCHEMBL3662291

C.O=S(=O)(O)Nc1ccc(CC2=NCCN2)c(Br)c1Cl

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.43
HTR1D P28221 3/20 0.40
HTR1B P28222 2/20 0.40
ADRA1A P35348 9/20 0.39
ADRA2C P18825 6/20 0.39
ADRA1D P25100 6/20 0.39
ADRA1B P35368 6/20 0.39
ADRA2A P08913 6/20 0.39
TAAR1 Q96RJ0 6/20 0.39
ADRA2B P18089 4/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.36
HTR1A P08908 1/20 0.36
MAPT P10636 1/20 0.36
OPRM1 P35372 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2387364 0.87 ADRA1A (0.45) RAD52HTR1DHTR1BADRA1AADRA2C
Hydrochloric Acid SCHEMBL3726001 0.86 ADRA1A (0.44) RAD52HTR1DHTR1BADRA1AADRA2C
SCHEMBL4986530 0.74 ADRA1A (0.50) RAD52HTR1DHTR1BADRA1AADRA2C
SCHEMBL12253235 0.74 HTR1D (0.58) HTR1DHTR1BADRA1AADRA2CADRA1D
SCHEMBL12304316 0.74 HTR1D (0.41) RAD52HTR1DHTR1BADRA1AADRA2C
SCHEMBL14092049 0.74 HTR1D (0.49) RAD52HTR1DHTR1BADRA1AADRA2C
SCHEMBL14092053 0.74 HTR1D (0.49) RAD52HTR1DHTR1BADRA1AADRA2C
SCHEMBL4992395 0.72 HTR1D (0.50) RAD52HTR1DHTR1BADRA1AADRA2C
SCHEMBL14092054 0.71 HTR1D (0.49) RAD52HTR1DHTR1BADRA1AADRA2C
SCHEMBL5200810 0.71 TAAR1 (0.51) HTR1DADRA1AADRA2CADRA1DADRA1B

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-2238113-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
WO-2009098134-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 WO disclosed