SCHEMBL20149778

SCHEMBL20149778

CCNC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 0.43
NPY2R P49146 1/20 0.42
CHRM4 P08173 1/20 0.42
KDM1A O60341 1/20 0.42
HTR7 P34969 2/20 0.41
C5AR1 P21730 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.40
GRM5 P41594 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
GRM2 Q14416 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL20149928 0.83 KDM4E (0.44) DRD4DRD2DRD3CHRM4KDM1A
SCHEMBL7714987 0.83 KDM4E (0.44) DRD4DRD2DRD3CHRM4KDM1A
SCHEMBL31042542 0.80 DRD4 (0.45) DRD4DRD2DRD3CHRM4KDM4E
SCHEMBL7715922 0.80 DRD4 (0.47) DRD4DRD2DRD3CHRM4KDM4E
SCHEMBL22837836 0.79 HSD17B10 (0.51) NPY2RKDM4EALDH1A1
SCHEMBL7955964 0.79 KDM1A (0.43) DRD4DRD2NPY2RCHRM4KDM1A
SCHEMBL13176022 0.78 MEN1 (0.59) DRD4DRD2HTR7KDM4EALDH1A1
SCHEMBL20756875 0.77 KDM4E (0.44) DRD4DRD2DRD3CHRM4HTR7
SCHEMBL7711219 0.76 DRD2 (0.48) DRD4DRD2DRD3CHRM4KDM4E
SCHEMBL31042527 0.75 DRD4 (0.51) DRD4DRD2DRD3CHRM4KDM4E

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed