SCHEMBL20140016

SCHEMBL20140016

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1CN1CCN(c2ncccc2C#N)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.55
DRD2 P14416 6/20 0.50
HTR2A P28223 5/20 0.49
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
MTOR P42345 2/20 0.46
RPTOR Q8N122 2/20 0.46
MLST8 Q9BVC4 2/20 0.46
DRD4 P21917 3/20 0.45
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL20140839 0.91 POLB (0.46) DRD2HTR2AHTR1AHTR7MTOR
SCHEMBL20142472 0.84 DRD2 (0.42) HSD11B1DRD2HTR2AHTR1AHTR7
SCHEMBL20142471 0.84 DRD2 (0.42) HSD11B1DRD2HTR2AHTR1AHTR7
SCHEMBL20141897 0.83 HTT (0.47) KDM4ETDP1HTTALDH1A1PARP1
SCHEMBL20156994 0.81 KDM4E (0.54) DRD2HTR2AHTR1AHTR7MTOR
SCHEMBL20140323 0.81 KDM4E (0.54) DRD2HTR2AHTR1AHTR7MTOR
SCHEMBL20157254 0.80 DRD2 (0.52) HSD11B1DRD2HTR2AHTR1AHTR7
SCHEMBL20157478 0.80 DRD4 (0.45) DRD2HTR2AHTR1AHTR7MTOR
SCHEMBL20140521 0.80 ALDH1A1 (0.44) HSD11B1DRD2HTR2ADRD4KDM4E
SCHEMBL20157139 0.79 DRD2 (0.50) HSD11B1DRD2HTR2AHTR1AHTR7

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