SCHEMBL6196697

SCHEMBL6196697

Cc1cc(NC(=O)NCCN2CCC(NC(=O)Cc3ccc(Br)cc3)C2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.56
SIGMAR1 Q99720 5/20 0.56
ADRA2A P08913 1/20 0.56
DRD2 P14416 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
SLC6A4 P31645 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
HTT P42858 2/20 0.50
GALR3 O60755 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCR3 P51677 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
DRD4 P21917 1/20 0.40

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
SCHEMBL4862849 0.95 UTS2R (0.60) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196060 0.94 UTS2R (0.62) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196386 0.94 UTS2R (0.57) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6198284 0.92 UTS2R (0.56) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6195622 0.92 UTS2R (0.56) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196382 0.91 UTS2R (0.55) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6195459 0.91 SIGMAR1 (0.55) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6196228 0.91 UTS2R (0.55) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6201161 0.90 UTS2R (0.55) UTS2RSIGMAR1ADRA2ADRD2SLC6A2
SCHEMBL6193958 0.89 SIGMAR1 (0.67) 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