SCHEMBL6198522

SCHEMBL6198522

Cc1cc(NC(=O)NCCN2CCC(NS(=O)(=O)c3cccc(C(=O)O)c3)C2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.53
DRD2 P14416 8/20 0.52
HTR2A P28223 8/20 0.52
ADRA2A P08913 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
SLC6A4 P31645 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR7 P34969 7/20 0.44
HTR6 P50406 7/20 0.44
HRH2 P25021 4/20 0.42
HRH1 P35367 4/20 0.42
ADAM17 P78536 1/20 0.41
CCR8 P51685 1/20 0.41
RAB9A P51151 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
SCHEMBL6198922 0.95 UTS2R (0.56) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6196780 0.93 UTS2R (0.58) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4863801 0.92 UTS2R (0.54) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4862899 0.91 UTS2R (0.53) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4862881 0.91 UTS2R (0.55) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6200522 0.91 UTS2R (0.53) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4864201 0.90 UTS2R (0.52) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6194485 0.89 UTS2R (0.54) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4860269 0.89 UTS2R (0.56) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4855423 0.89 UTS2R (0.51) UTS2RDRD2HTR2AADRA2ASLC6A2

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