SCHEMBL20140205

SCHEMBL20140205

N#Cc1ccccc1N1CC2CC(C1)N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.47
GRM5 P41594 1/20 0.43
HTR3A P46098 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GRM2 Q14416 1/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
KDM4E B2RXH2 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
DRD4 P21917 2/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.37
HTR7 P34969 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
DRD2 P14416 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL20139200 0.91 GRM1 (0.43) GRM1GRM5HTR3ADPP4DPP8
SCHEMBL20157461 0.81 GHSR (0.44) GRM1GRM5DPP4DPP8DPP9
SCHEMBL19665127 0.79 GRM1 (0.47) GRM1GRM5DPP4DPP8DPP9
SCHEMBL5795243 0.79 GRM1 (0.47) GRM1GRM5DPP4DPP8DPP9
SCHEMBL30619380 0.78 GRM1 (0.49) GRM1GRM5DPP4DPP8DPP9
SCHEMBL27488325 0.78 GRM1 (0.49) GRM1GRM5DPP4DPP8DPP9
SCHEMBL20129652 0.78 GRM1 (0.46) GRM1GRM5DPP4DPP8DPP9
SCHEMBL21667804 0.77 BPTF (0.53) GRM1GRM5GRM2CHRNB4CHRNA3
SCHEMBL20157244 0.77 GRM1 (0.43) GRM1GRM5GRM2KDM4EDRD4
Hydrochloric Acid SCHEMBL20511262 0.76 BPTF (0.51) GRM1GRM5GRM2CHRNB4CHRNA3

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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed