SCHEMBL20156785

SCHEMBL20156785

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1OC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
DRD2 P14416 4/20 0.44
HTR1A P08908 1/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 2/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CHRM4 P08173 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL20140770 0.79 ALDH1A1 (0.51) HTR7KDM4EALDH1A1DRD2HTR1A
SCHEMBL20141745 0.78 DRD4 (0.49) HTR7KDM4EALDH1A1DRD2HTR1A
SCHEMBL20140902 0.77 HTR7 (0.48) HTR7KDM4EALDH1A1ALOX15TSHR
SCHEMBL20139955 0.75 KDM4E (0.52) HTR7KDM4EALDH1A1DRD2HTR1A
SCHEMBL20141481 0.74 KDM4E (0.51) HTR7KDM4EALDH1A1DRD2HTR1A
SCHEMBL20140044 0.74 MTOR (0.54) HTR7KDM4EALDH1A1DRD2DRD4
SCHEMBL20140720 0.73 MTOR (0.57) KDM4EALDH1A1ALOX15TSHRLMNA
SCHEMBL2328515 0.73 DRD4 (0.59) HTR7DRD2DRD4DRD3CHRM4
SCHEMBL20140731 0.72 DRD4 (0.54) HTR7KDM4EALDH1A1DRD2HTR1A
SCHEMBL20156863 0.71 DRD4 (0.53) HTR7KDM4EALDH1A1ALOX15DRD2

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