SCHEMBL6199149

SCHEMBL6199149

Cc1cc(NC(=O)NCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.71
DRD2 P14416 5/20 0.71
ADRA2A P08913 1/20 0.71
SLC6A2 P23975 1/20 0.71
HTR2A P28223 1/20 0.71
HTR2C P28335 1/20 0.71
SLC6A4 P31645 1/20 0.71
TMEM97 Q5BJF2 1/20 0.71
SIGMAR1 Q99720 1/20 0.71
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALR3 O60755 1/20 0.43
RAB9A P51151 1/20 0.43
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
CCR1 P32246 1/20 0.42
CCR3 P51677 1/20 0.42
IGF1R P08069 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
SCHEMBL4859837 0.94 UTS2R (0.77) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4860568 0.93 UTS2R (0.73) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6198939 0.91 UTS2R (0.71) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6197965 0.85 UTS2R (0.52) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4856822 0.84 UTS2R (0.73) UTS2RDRD2ADRA2ASLC6A2HTR2A
Hydrochloric Acid SCHEMBL4860288 0.83 UTS2R (0.71) UTS2RDRD2ADRA2ASLC6A2HTR2A
Palosuran SCHEMBL1363480 0.83 UTS2R (1.00) UTS2RDRD2ADRA2ASLC6A2HTR2A
Palosuran SCHEMBL29441424 0.83 UTS2R (1.00) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4862084 0.82 UTS2R (0.61) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4861140 0.82 UTS2R (0.72) 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 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