SCHEMBL6197207

SCHEMBL6197207

Cc1cc(NC(=O)NCCN2CCC(NS(=O)(=O)c3ccccc3S(C)(=O)=O)CC2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.59
DRD2 P14416 3/20 0.57
ADRA2A P08913 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
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1A P08908 5/20 0.41
HTR7 P34969 5/20 0.41
CCR8 P51685 2/20 0.41
HTT P42858 3/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL6195436 0.95 UTS2R (0.55) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6196784 0.93 UTS2R (0.59) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6198750 0.92 UTS2R (0.59) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6199148 0.91 UTS2R (0.58) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6196440 0.91 UTS2R (0.58) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6198085 0.90 UTS2R (0.56) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4854989 0.89 UTS2R (0.58) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4864796 0.88 UTS2R (0.56) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4855333 0.88 UTS2R (0.59) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6193259 0.88 UTS2R (0.54) UTS2RDRD2ADRA2ASLC6A2HTR2A

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