SCHEMBL5201551

SCHEMBL5201551

Cc1c(NS(C)(=O)=O)cc(Cl)cc1OCC1=NCCN1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 11/20 0.64
ADRA2C P18825 5/20 0.46
ADRA1D P25100 5/20 0.46
ADRA1B P35368 5/20 0.46
NISCH Q9Y2I1 9/20 0.45
ADRA2A P08913 4/20 0.43
HTR1A P08908 2/20 0.40
ADRA2B P18089 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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 SCHEMBL5203301 0.99 ADRA1A (0.62) ADRA1AADRA2CADRA1DADRA1BNISCH
SCHEMBL5202260 0.82 ADRA1A (0.66) ADRA1AADRA2CADRA1DADRA1BNISCH
Hydrochloric Acid SCHEMBL5201322 0.81 ADRA1A (0.65) ADRA1AADRA2CADRA1DADRA1BNISCH
SCHEMBL5201781 0.81 ADRA1A (0.58) ADRA1AADRA2CADRA1DADRA1BNISCH
Hydrochloric Acid SCHEMBL5204106 0.80 ADRA1A (0.57) ADRA1AADRA2CADRA1DADRA1BNISCH
Dabuzalgron SCHEMBL5203336 0.78 ADRA1A (1.00) ADRA1AADRA2CADRA1DADRA1BNISCH
SCHEMBL5204186 0.78 ADRA1A (0.67) ADRA1AADRA2CADRA1DADRA1BNISCH
SCHEMBL5203438 0.77 ADRA1A (0.54) ADRA1AADRA2CADRA1DADRA1BNISCH
Dabuzalgron SCHEMBL5200715 0.77 ADRA1A (0.98) ADRA1AADRA2CADRA1DADRA1BNISCH
Dabuzalgron SCHEMBL19285840 0.77 ADRA1A (0.98) ADRA1AADRA2CADRA1DADRA1BNISCH

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 3 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 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