SCHEMBL6197016

SCHEMBL6197016

Cc1cc(NC(=O)NCCN2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.59
ADRA2A P08913 1/20 0.59
DRD2 P14416 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
SLC6A4 P31645 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
IGF1R P08069 2/20 0.47
EPHX2 P34913 1/20 0.45
CXCR3 P49682 2/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ROCK2 O75116 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
SCHEMBL5527297 0.90 UTS2R (0.54) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6198660 0.89 CXCR3 (0.59) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6194469 0.88 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4862060 0.86 UTS2R (0.68) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5732907 0.86 UTS2R (0.61) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6196245 0.86 CXCR3 (0.55) UTS2RADRA2ADRD2SLC6A2HTR2A
Hydrochloric Acid SCHEMBL4851917 0.86 UTS2R (0.67) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6195603 0.84 UTS2R (0.66) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6199009 0.84 UTS2R (0.65) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL6197148 0.84 UTS2R (0.65) 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