SCHEMBL5200544

SCHEMBL5200544

Cc1cc(CC2=NCCN2)c(C)c(NS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 11/20 0.48
ADRA1D P25100 9/20 0.48
ADRA1B P35368 9/20 0.48
ADRA2A P08913 8/20 0.48
ADRA2C P18825 8/20 0.48
HTR1D P28221 6/20 0.48
HTR1B P28222 5/20 0.48
ADRA2B P18089 3/20 0.42
NR3C1 P04150 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 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 SCHEMBL5201568 0.99 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL5200657 0.82 TAAR1 (0.52) ADRA1AADRA1DADRA1BADRA2AADRA2C
Hydrochloric Acid SCHEMBL5203075 0.81 TAAR1 (0.51) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL4992395 0.78 HTR1D (0.50) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL5200471 0.78 ADRA1A (0.50) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL5201043 0.78 HTR1D (0.44) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL4986530 0.78 ADRA1A (0.50) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL4989505 0.78 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL13752307 0.78 HTR1D (0.50) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL2561416 0.78 HTR1D (0.50) ADRA1AADRA1DADRA1BADRA2AADRA2C

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 1 patent. 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