SCHEMBL6196552

SCHEMBL6196552

O=C(NCCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 20/20 0.68
ADRA2A P08913 1/20 0.66
DRD2 P14416 1/20 0.66
SLC6A2 P23975 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
SLC6A4 P31645 1/20 0.66
TMEM97 Q5BJF2 1/20 0.66
SIGMAR1 Q99720 1/20 0.66
KCNH2 Q12809 1/20 0.56

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
SCHEMBL6198206 0.94 UTS2R (0.75) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4856925 0.85 UTS2R (0.90) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL1363480 0.80 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL29441424 0.80 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5735461 0.79 MAPT (0.57) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4861253 0.79 UTS2R (0.70) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4862944 0.78 UTS2R (0.76) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198166 0.77 CCR3 (0.60) UTS2RSLC6A2SLC6A4
Palosuran SCHEMBL29441419 0.77 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL5265025 0.77 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 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