SCHEMBL6196240

SCHEMBL6196240

CCCc1ccc(S(=O)(=O)NC2CCN(CCNC(=O)Nc3cc(C)nc4ccccc34)CC2)cc1

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
KIT P10721 1/20 0.44
ADAM17 P78536 4/20 0.42
HTR1A P08908 4/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR7 P34969 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
SCHEMBL4852296 0.95 UTS2R (0.54) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4857083 0.95 UTS2R (0.56) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4855333 0.91 UTS2R (0.59) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4864776 0.90 UTS2R (0.52) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4859902 0.90 UTS2R (0.58) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198164 0.90 UTS2R (0.58) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4862789 0.90 UTS2R (0.58) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198113 0.89 UTS2R (0.54) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6196505 0.88 UTS2R (0.56) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4861978 0.88 UTS2R (0.56) 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