SCHEMBL6198316

SCHEMBL6198316

Cc1cc(NC(=O)NCCN2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)C2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.53
DRD2 P14416 14/20 0.52
HTR2A P28223 10/20 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
HTR7 P34969 16/20 0.50
HTR6 P50406 13/20 0.50
HTR1A P08908 5/20 0.50
ADAM17 P78536 1/20 0.43

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
SCHEMBL6195118 0.95 UTS2R (0.56) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6197376 0.92 UTS2R (0.54) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6196780 0.91 UTS2R (0.58) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6200522 0.91 UTS2R (0.53) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4860852 0.91 UTS2R (0.54) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6194485 0.91 UTS2R (0.54) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4860269 0.91 UTS2R (0.56) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4862881 0.89 UTS2R (0.55) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6195648 0.89 UTS2R (0.53) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4862254 0.89 UTS2R (0.54) 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