SCHEMBL20157461

SCHEMBL20157461

C[C@@H]1CN(c2ccccc2C#N)C[C@H](C)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.44
GRM1 Q13255 3/20 0.43
GRM2 Q14416 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GRM5 P41594 1/20 0.39
HTR7 P34969 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
DRD4 P21917 1/20 0.37
WEE1 P30291 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21649366 0.83 AR (0.59) AR
SCHEMBL2460324 0.82 GRM1 (0.45) GRM1GRM2KDM4EGRM5HTR7
SCHEMBL2460325 0.82 GRM1 (0.45) GRM1GRM2KDM4EGRM5HTR7
SCHEMBL20140116 0.82 GRM1 (0.45) GRM1GRM2KDM4EGRM5HTR7
SCHEMBL19665127 0.81 GRM1 (0.47) GRM1GRM2KDM4EGRM5HTR7
SCHEMBL5795243 0.81 GRM1 (0.47) GRM1GRM2KDM4EGRM5HTR7
SCHEMBL20140205 0.81 GRM1 (0.47) GRM1GRM2KDM4EGRM5HTR7
SCHEMBL27679123 0.80 GHSR (0.45) GHSRKDM4EHTTWEE1ALDH1A1
SCHEMBL27679122 0.80 GHSR (0.45) GHSRKDM4EHTTWEE1ALDH1A1
SCHEMBL20139200 0.79 GRM1 (0.43) GRM1GRM2KDM4EGRM5HTR7

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