SCHEMBL20156837

SCHEMBL20156837

Cc1cc(C)c(SN2CCN(c3ncccc3C#N)CC2)cc1CN1CCCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
HTR2A P28223 5/20 0.47
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
DRD4 P21917 3/20 0.44
PARP1 P09874 1/20 0.41
TNK2 Q07912 1/20 0.41
TNK1 Q13470 1/20 0.41
MTOR P42345 1/20 0.39
RPTOR Q8N122 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL20157254 0.97 DRD2 (0.52) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL20157058 0.91 DRD4 (0.43) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL20157265 0.80 RET (0.40) DRD2DRD4PARP1TNK1
SCHEMBL20140323 0.78 KDM4E (0.54) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL20157139 0.78 DRD2 (0.50) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL20156994 0.78 KDM4E (0.54) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL20140016 0.78 HSD11B1 (0.55) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL20142471 0.76 DRD2 (0.42) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL20142472 0.76 DRD2 (0.42) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL20140731 0.76 DRD4 (0.54) DRD2HTR2AHTR1AHTR7DRD4

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