SCHEMBL6196817

SCHEMBL6196817

Cc1cc(NC(=O)NCCN2CCC(NC(=O)Nc3cccc(Cl)c3)C2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.53
ADRA2A P08913 1/20 0.53
DRD2 P14416 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
PKM P14618 1/20 0.50
HTR1A P08908 3/20 0.47
HTR7 P34969 2/20 0.47
EPHX2 P34913 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.46
IGF1R P08069 1/20 0.44
CXCR3 P49682 1/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL6199082 0.95 UTS2R (0.57) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6197465 0.92 UTS2R (0.55) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6197419 0.92 UTS2R (0.55) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198913 0.91 UTS2R (0.53) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6196317 0.90 UTS2R (0.54) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6197474 0.89 HTR2A (0.53) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6196245 0.89 CXCR3 (0.55) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6196121 0.89 UTS2R (0.56) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198104 0.88 UTS2R (0.53) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6201161 0.87 UTS2R (0.55) 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