SCHEMBL20140911

SCHEMBL20140911

C=Cc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.44
KDM1A O60341 3/20 0.41
DRD2 P14416 2/20 0.39
MTOR P42345 2/20 0.39
RPTOR Q8N122 2/20 0.39
MLST8 Q9BVC4 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 1/20 0.39
ALOX5 P09917 1/20 0.38
CFTR P13569 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TNFSF11 O14788 1/20 0.38
HSD11B1 P28845 1/20 0.37
SLC6A9 P48067 2/20 0.37

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
SCHEMBL20141270 0.93 HTR6 (0.44) HTR6KDM1ADRD2MTORRPTOR
SCHEMBL20141590 0.88 HTR6 (0.46) HTR6KDM1ADRD2MTORRPTOR
SCHEMBL20157106 0.88 HTR6 (0.46) HTR6KDM1ADRD2MAOAMAOB
SCHEMBL20157133 0.87 MTOR (0.39) HTR6KDM1ADRD2MTORRPTOR
SCHEMBL20140762 0.85 HTR6 (0.47) HTR6KDM1ADRD2MTORRPTOR
SCHEMBL20157131 0.80 CFTR (0.40) HTR6KDM1ADRD2MTORRPTOR
SCHEMBL20157134 0.77 ALDH1A1 (0.40) HTR6KDM1ADRD2MTORRPTOR
SCHEMBL20142330 0.74 HTR6 (0.45) HTR6DRD2MTORRPTORMLST8
SCHEMBL20140396 0.71 HTR6 (0.45) HTR6KDM1ADRD2HTR2ADRD4
SCHEMBL2023767 0.69 HTR6 (0.55) HTR6DRD2HTR1AHTR2ADRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed