SCHEMBL20156961

SCHEMBL20156961

CC(O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.49
HTR1A P08908 7/20 0.49
HTR7 P34969 7/20 0.49
DRD4 P21917 7/20 0.49
DRD3 P35462 4/20 0.48
MC4R P32245 1/20 0.46
GRM5 P41594 1/20 0.46
HSP90AB1 P08238 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HTR2A P28223 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
PHGDH O43175 1/20 0.43

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
SCHEMBL13898671 0.87 MC4R (0.51) DRD2HTR1AHTR7DRD4DRD3
SCHEMBL3088832 0.82 DRD4 (0.54) DRD2HTR1AHTR7DRD4DRD3
SCHEMBL20156862 0.81 DRD2 (0.45) DRD2HTR1AHTR7DRD4DRD3
SCHEMBL429372 0.79 DRD4 (0.47) DRD2HTR1AHTR7DRD4HSP90AB1
SCHEMBL9118895 0.78 DRD2 (0.45) DRD2HTR1AHTR7DRD4DRD3
SCHEMBL2077261 0.78 ADRA2C (0.56) DRD2HTR1AHTR7DRD4DRD3
SCHEMBL20156847 0.78 DRD4 (0.51) DRD2HTR1ADRD4DRD3GRM5
SCHEMBL20157270 0.76 DRD2 (0.54) DRD2HTR1AHTR7DRD4DRD3
Hydrochloric Acid SCHEMBL1483325 0.76 ADRA2C (0.55) DRD2HTR1AHTR7DRD4DRD3
SCHEMBL829177 0.75 AR (0.65) DRD2HTR1ADRD4GRM5KDM4E

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