SCHEMBL6196322

SCHEMBL6196322

Cc1cccc(CC(=O)NC2CCN(CCNC(=O)Nc3cc(C)nc4ccccc34)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.58
SIGMAR1 Q99720 3/20 0.58
ADRA2A P08913 1/20 0.58
DRD2 P14416 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
SLC6A4 P31645 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
GALR3 O60755 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DRD4 P21917 1/20 0.45
BCHE P06276 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL6197649 0.95 UTS2R (0.62) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196060 0.94 UTS2R (0.62) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196386 0.92 UTS2R (0.57) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6193958 0.89 SIGMAR1 (0.67) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6198284 0.89 UTS2R (0.56) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196697 0.89 UTS2R (0.56) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6195622 0.89 UTS2R (0.56) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6194472 0.89 UTS2R (0.60) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6197419 0.88 UTS2R (0.55) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6199817 0.88 UTS2R (0.55) 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