SCHEMBL6196440

SCHEMBL6196440

Cc1cc(NC(=O)NCCN2CCC(NS(=O)(=O)c3ccccc3Cl)CC2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.58
ADRA2A P08913 1/20 0.57
DRD2 P14416 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
SLC6A4 P31645 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
CCR8 P51685 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
IGF1R P08069 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4857724 0.95 UTS2R (0.54) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6196784 0.92 UTS2R (0.59) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6197207 0.91 UTS2R (0.59) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198750 0.91 UTS2R (0.59) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6199148 0.90 UTS2R (0.58) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4857429 0.89 UTS2R (0.56) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198085 0.89 UTS2R (0.56) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4862789 0.89 UTS2R (0.58) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4854989 0.88 UTS2R (0.58) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6199198 0.88 UTS2R (0.55) UTS2RADRA2ADRD2SLC6A2HTR2A

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-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed