SCHEMBL20141292

SCHEMBL20141292

COC(=O)c1cc(CC2CCN(c3ccccc3C#N)CC2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHRM4 P08173 1/20 0.44
DRD4 P21917 5/20 0.41
DRD3 P35462 3/20 0.41
DRD2 P14416 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2A P28223 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK14 Q16539 1/20 0.41
CCR3 P51677 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
SCHEMBL20140336 0.89 MAPT (0.47) KDM4EALDH1A1CHRM4DRD4DRD3
SCHEMBL20139884 0.86 BDKRB1 (0.47) BDKRB1KDM4EALDH1A1NPSR1CHRM4
SCHEMBL20140966 0.81 MTOR (0.47) BDKRB1KDM4EALDH1A1DRD4DRD3
SCHEMBL20156971 0.79 CHRM4 (0.41) KDM4EALDH1A1CHRM4DRD4DRD3
SCHEMBL20140897 0.78 MTOR (0.45) KDM4EALDH1A1MAPK1CYP2C9CYP2C19
SCHEMBL20140733 0.78 KDM4E (0.48) BDKRB1KDM4EALDH1A1NPSR1DRD4
SCHEMBL20129666 0.77 MTOR (0.62) BDKRB1KDM4EALDH1A1DRD4DRD3
SCHEMBL20133548 0.77 MTOR (0.56) BDKRB1KDM4EALDH1A1DRD4DRD3
SCHEMBL20139958 0.76 NAMPT (0.53) KDM4EALDH1A1DRD4DRD3DRD2
SCHEMBL20141681 0.75 MTOR (0.44) BDKRB1KDM4EALDH1A1NPSR1DRD4

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