SCHEMBL6199817

SCHEMBL6199817

Cc1cc(NC(=O)NCCN2CCC(NC(=O)Cc3cccc4ccccc34)C2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.55
SIGMAR1 Q99720 3/20 0.55
ADRA2A P08913 1/20 0.55
DRD2 P14416 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
GALR3 O60755 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD4 P21917 2/20 0.41

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
SCHEMBL4858117 0.95 UTS2R (0.58) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6200372 0.93 UTS2R (0.55) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196060 0.90 UTS2R (0.62) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6195795 0.88 UTS2R (0.61) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196322 0.88 UTS2R (0.58) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196386 0.88 UTS2R (0.57) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6194636 0.88 UTS2R (0.59) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196937 0.87 UTS2R (0.57) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6197953 0.87 UTS2R (0.65) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6197401 0.87 UTS2R (0.59) UTS2RSIGMAR1ADRA2ADRD2SLC6A2

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