SCHEMBL20140482

SCHEMBL20140482

Cc1cc(C)c(C(=O)O)cc1CN1CCC(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.51
HRH2 P25021 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
POLB P06746 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KCNH2 Q12809 1/20 0.38
MTOR P42345 2/20 0.38
RPTOR Q8N122 2/20 0.38
MLST8 Q9BVC4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PROKR1 Q8TCW9 1/20 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
SCHEMBL20140775 0.85 DRD4 (0.51) DRD4HRH2POLBMEN1KMT2A
SCHEMBL20140126 0.83 MTOR (0.53) DRD4KCNH2MTORRPTORMLST8
SCHEMBL20140057 0.83 MTOR (0.51) DRD4MTORRPTORMLST8ALDH1A1
Hydrochloric Acid SCHEMBL20140671 0.82 MTOR (0.52) DRD4KCNH2MTORRPTORMLST8
SCHEMBL20141432 0.79 MTOR (0.50) DRD4KCNH2MTORRPTORMLST8
SCHEMBL20156997 0.78 MTOR (0.44) DRD4MTORRPTORMLST8
SCHEMBL20156833 0.77 DRD4 (0.41) DRD4ADRA1DADRA1AADRA1BMTOR
SCHEMBL20141367 0.76 RET (0.42) DRD4
SCHEMBL20140782 0.74 CHRM4 (0.44) DRD4MTORRPTORMLST8ALDH1A1
SCHEMBL20140342 0.74 MTOR (0.56) DRD4MTORRPTORMLST8ALDH1A1

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