SCHEMBL20140147

SCHEMBL20140147

Cc1cc(C)c(C(=O)O)cc1CN1CCN(c2cc(F)c(F)cc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.47
RPTOR Q8N122 2/20 0.47
MLST8 Q9BVC4 2/20 0.47
ALDH1A1 P00352 2/20 0.43
TTR P02766 1/20 0.41
DRD4 P21917 4/20 0.39
KCNH2 Q12809 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
MAPT P10636 1/20 0.38
PARP1 P09874 1/20 0.37
AOC3 Q16853 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
GPR6 P46095 2/20 0.36
HTR7 P34969 1/20 0.36
CHRM2 P08172 1/20 0.35

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
SCHEMBL20140350 0.90 MTOR (0.54) MTORRPTORMLST8ALDH1A1KCNH2
SCHEMBL20139897 0.88 GPR6 (0.46) MTORRPTORMLST8ALDH1A1TTR
SCHEMBL20140126 0.85 MTOR (0.53) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20140926 0.85 MTOR (0.54) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20141003 0.85 MTOR (0.54) MTORRPTORMLST8ALDH1A1DRD4
Hydrochloric Acid SCHEMBL20140671 0.84 MTOR (0.52) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20141432 0.81 MTOR (0.50) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20140996 0.80 MTOR (0.44) MTORRPTORMLST8ALDH1A1DRD4
Trifluoroacetic Acid SCHEMBL20140080 0.78 MTOR (0.42) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20140679 0.78 MTOR (0.51) MTORRPTORMLST8ALDH1A1KCNH2

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