SCHEMBL5200474

SCHEMBL5200474

Cc1c(OCC2=NCCN2)ccc(Br)c1NS(C)(=O)=O

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.77
HTR1A P08908 4/20 0.51
ADRA2A P08913 4/20 0.51
ADRA2B P18089 4/20 0.51
ADRA2C P18825 4/20 0.51
NISCH Q9Y2I1 11/20 0.48
ADRA1D P25100 3/20 0.41
ADRA1B P35368 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
Hydrochloric Acid SCHEMBL5203525 0.99 ADRA1A (0.75) ADRA1AHTR1AADRA2AADRA2BADRA2C
SCHEMBL5201030 0.89 ADRA1A (0.80) ADRA1AHTR1AADRA2AADRA2BADRA2C
Dabuzalgron SCHEMBL5203336 0.87 ADRA1A (1.00) ADRA1AHTR1AADRA2AADRA2BADRA2C
Dabuzalgron SCHEMBL5200715 0.86 ADRA1A (0.98) ADRA1AHTR1AADRA2AADRA2BADRA2C
Dabuzalgron SCHEMBL19285840 0.86 ADRA1A (0.98) ADRA1AHTR1AADRA2AADRA2BADRA2C
SCHEMBL5202260 0.80 ADRA1A (0.66) ADRA1AHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL5201322 0.79 ADRA1A (0.65) ADRA1AHTR1AADRA2AADRA2BADRA2C
SCHEMBL3178673 0.77 HTR1A (0.59) ADRA1AHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL5206476 0.77 ADRA1A (0.62) ADRA1AHTR1AADRA2AADRA2BADRA2C
SCHEMBL5202963 0.75 ADRA1A (0.60) ADRA1AHTR1AADRA2AADRA2BADRA2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP claimed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP claimed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed