SCHEMBL6196705

SCHEMBL6196705

Cc1cc(NC(=O)NCCN2CCC(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.56
DRD2 P14416 2/20 0.55
HTR2A P28223 2/20 0.55
ADRA2A P08913 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
HTR1A P08908 5/20 0.46
HTR7 P34969 5/20 0.46
DRD3 P35462 1/20 0.45
ADAM17 P78536 3/20 0.42
CCR8 P51685 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
NLRP3 Q96P20 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 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
SCHEMBL4851901 0.95 UTS2R (0.53) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4859883 0.93 UTS2R (0.56) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4855333 0.92 UTS2R (0.59) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6198164 0.91 UTS2R (0.58) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4862789 0.91 UTS2R (0.58) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4859902 0.91 UTS2R (0.58) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6196505 0.89 UTS2R (0.56) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4861978 0.89 UTS2R (0.56) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL6196165 0.89 UTS2R (0.58) UTS2RDRD2HTR2AADRA2ASLC6A2
SCHEMBL4862408 0.89 UTS2R (0.52) UTS2RDRD2HTR2AADRA2ASLC6A2

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