SCHEMBL6197824

SCHEMBL6197824

COC(=O)C1(Cc2ccccc2)CCN(CCNC(=O)Nc2cc(C)nc3ccccc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.78
ADRA2A P08913 1/20 0.78
DRD2 P14416 1/20 0.78
SLC6A2 P23975 1/20 0.78
HTR2A P28223 1/20 0.78
HTR2C P28335 1/20 0.78
SLC6A4 P31645 1/20 0.78
TMEM97 Q5BJF2 1/20 0.78
SIGMAR1 Q99720 1/20 0.78
HTT P42858 2/20 0.47
GALR3 O60755 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
IGF1R P08069 2/20 0.46

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
SCHEMBL4853304 0.92 UTS2R (0.82) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL29441424 0.88 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL1363480 0.88 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4860215 0.86 UTS2R (0.72) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4863577 0.86 UTS2R (0.69) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL29441419 0.84 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL5265025 0.84 UTS2R (1.00) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL1363165 0.84 UTS2R (0.98) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL1364658 0.84 UTS2R (0.98) UTS2RADRA2ADRD2SLC6A2HTR2A
Palosuran SCHEMBL1364002 0.84 UTS2R (0.98) 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