SCHEMBL6196897

SCHEMBL6196897

CCN(Cc1ccccc1)C(=O)OC1(c2ccccc2)CCN(CCNC(=O)Nc2cc(C)nc3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 13/20 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
HTT P42858 2/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IGF1R P08069 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL6196560 0.91 UTS2R (0.65) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6196821 0.90 UTS2R (0.68) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198087 0.88 UTS2R (0.65) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4862040 0.87 UTS2R (0.66) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198336 0.87 UTS2R (0.64) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4860215 0.85 UTS2R (0.72) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198670 0.83 UTS2R (0.66) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6199854 0.81 UTS2R (0.62) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4862199 0.81 UTS2R (0.68) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4859837 0.80 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 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 claimed