SCHEMBL20156977

SCHEMBL20156977

CON1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.47
PHGDH O43175 1/20 0.47
THRB P10828 1/20 0.46
DRD2 P14416 6/20 0.45
DRD4 P21917 6/20 0.45
GRM5 P41594 1/20 0.45
DRD3 P35462 3/20 0.44
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
AR P10275 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 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
SCHEMBL3088832 0.85 DRD4 (0.54) HTR7PHGDHDRD2DRD4GRM5
SCHEMBL2077261 0.80 ADRA2C (0.56) HTR7DRD2DRD4GRM5DRD3
Hydrochloric Acid SCHEMBL1483325 0.79 ADRA2C (0.55) HTR7DRD2DRD4GRM5DRD3
SCHEMBL20156862 0.78 DRD2 (0.45) HTR7THRBDRD2DRD4GRM5
SCHEMBL829177 0.77 AR (0.65) DRD2DRD4GRM5HTR1AAR
SCHEMBL30406641 0.77 AR (0.59) DRD2DRD4GRM5DRD3HTR1A
SCHEMBL2321072 0.77 DRD4 (0.49) HTR7PHGDHDRD2DRD4GRM5
SCHEMBL12126933 0.77 DRD2 (0.43) HTR7THRBDRD2DRD4GRM5
SCHEMBL23277098 0.77 KDM4E (0.58) HTR7DRD2DRD4GRM5DRD3
SCHEMBL21572676 0.77 DRD4 (0.48) HTR7DRD2DRD4GRM5DRD3

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