SCHEMBL6198596

SCHEMBL6198596

Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)cc(N(C)Cc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.64
ADRA2A P08913 1/20 0.64
DRD2 P14416 1/20 0.64
SLC6A2 P23975 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
SLC6A4 P31645 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
MAPT P10636 1/20 0.45
CHRM4 P08173 1/20 0.42

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
SCHEMBL3559983 0.89 UTS2R (0.75) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4857354 0.87 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3563302 0.84 UTS2R (0.68) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6197244 0.84 CCR3 (0.56) SLC6A2HTR2ASLC6A4
SCHEMBL6194403 0.81 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6195154 0.80 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5541398 0.80 UTS2R (0.70) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6215071 0.79 UTS2R (0.59) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL29441424 0.78 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL1363480 0.78 UTS2R (1.00) 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 3 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 disclosed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP 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