SCHEMBL28753630

SCHEMBL28753630

Cc1cc(NC(=O)NCCN2CCC(O)(CCc3ccccc3)CC2)c2ccccc2n1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.83
ADRA2A P08913 1/20 0.83
DRD2 P14416 1/20 0.83
SLC6A2 P23975 1/20 0.83
HTR2A P28223 1/20 0.83
HTR2C P28335 1/20 0.83
SLC6A4 P31645 1/20 0.83
TMEM97 Q5BJF2 1/20 0.83
SIGMAR1 Q99720 1/20 0.83
GALR3 O60755 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
Palosuran SCHEMBL1363480 0.91 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL29441424 0.91 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL29441419 0.88 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL5265025 0.88 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL28753629 0.87 UTS2R (0.64) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL1364002 0.87 UTS2R (0.98) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL1363165 0.87 UTS2R (0.98) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL1364658 0.87 UTS2R (0.98) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4856925 0.86 UTS2R (0.90) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4859837 0.85 UTS2R (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100424082-C 4- (piperidinyl-pyrrolidinyl-alkyl-ureido) -quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-10-08 CN claimed
CN-1617869-A 4-(piperidyl- and pyrrolidyl-alkyl-ureido) -quinolines as urotensin ii receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-18 CN claimed
CN-100424082-C 4- (piperidinyl-pyrrolidinyl-alkyl-ureido) -quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2008-10-08 CN disclosed
CN-1617869-A 4-(piperidyl- and pyrrolidyl-alkyl-ureido) -quinolines as urotensin ii receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-05-18 CN disclosed