SCHEMBL20156847

SCHEMBL20156847

N#Cc1ccccc1N1CCN(O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.51
DRD2 P14416 5/20 0.51
GRM5 P41594 1/20 0.51
DRD3 P35462 4/20 0.47
AR P10275 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PHGDH O43175 1/20 0.44
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2A P28223 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL3088832 0.90 DRD4 (0.54) DRD4DRD2GRM5DRD3AR
SCHEMBL30406641 0.82 AR (0.59) DRD4DRD2GRM5DRD3AR
SCHEMBL829177 0.82 AR (0.65) DRD4DRD2GRM5ARALDH1A1
SCHEMBL23277098 0.81 KDM4E (0.58) DRD4DRD2GRM5DRD3AR
SCHEMBL21572676 0.81 DRD4 (0.48) DRD4DRD2GRM5DRD3AR
SCHEMBL2077260 0.81 GRM5 (0.51) DRD4DRD2GRM5DRD3AR
SCHEMBL2077261 0.81 ADRA2C (0.56) DRD4DRD2GRM5DRD3AR
SCHEMBL7528396 0.80 AR (0.62) DRD4DRD2GRM5ARALDH1A1
SCHEMBL31388194 0.80 AR (0.62) DRD4DRD2GRM5ARALDH1A1
SCHEMBL7524105 0.80 AR (0.62) DRD4DRD2GRM5ARALDH1A1

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