SCHEMBL301707

SCHEMBL301707

Cc1cc(NC(=O)NCCN2CCC(C(=O)N(C)Cc3ccccc3)(c3ccccc3)CC2)cc(CCc2ccccc2)n1.O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc(CCc2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 19/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KCNH2 Q12809 1/20 0.45
CHRM4 P08173 1/20 0.36

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
SCHEMBL5547240 0.87 UTS2R (0.46) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3560401 0.84 UTS2R (0.57) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5541293 0.83 UTS2R (0.45) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5547628 0.81 UTS2R (0.48) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5547260 0.81 UTS2R (0.50) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3565146 0.80 UTS2R (0.63) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3563302 0.75 UTS2R (0.68) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3559983 0.75 UTS2R (0.75) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3557619 0.75 UTS2R (0.44) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL3557622 0.75 UTS2R (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4851328-B2 2012-01-11 JP claimed
JP-2007506692-A 2007-03-22 JP claimed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP claimed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO claimed