SCHEMBL6197129

SCHEMBL6197129

CCNC(=O)NC1CCN(CCNC(=O)Nc2cc(C)nc3ccccc23)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.59
DRD2 P14416 2/20 0.59
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59
ADRA2A P08913 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
KDM4E B2RXH2 1/20 0.45
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
HTT P42858 3/20 0.43
GALR3 O60755 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR7 P34969 1/20 0.42

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
SCHEMBL6194772 0.95 UTS2R (0.63) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL6196097 0.93 UTS2R (0.57) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL6197953 0.92 UTS2R (0.65) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL6195795 0.92 UTS2R (0.61) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL6200289 0.91 UTS2R (0.61) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL6196174 0.90 UTS2R (0.60) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL6195501 0.90 UTS2R (0.58) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL6197401 0.90 UTS2R (0.59) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL6194837 0.90 UTS2R (0.55) UTS2RDRD2HTR2AHTR2CADRA2A
SCHEMBL6195447 0.90 UTS2R (0.57) UTS2RDRD2HTR2AHTR2CADRA2A

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