SCHEMBL20139200

SCHEMBL20139200

N#Cc1ccccc1N1CC2CCC(C1)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.43
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GRM5 P41594 1/20 0.39
GRM2 Q14416 1/20 0.39
DRD4 P21917 2/20 0.37
HTR3A P46098 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
HTR7 P34969 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
DRD2 P14416 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
SCHEMBL20140205 0.91 GRM1 (0.47) GRM1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20157461 0.79 GHSR (0.44) GRM1KDM4EALDH1A1GRM5GRM2
SCHEMBL30619380 0.77 GRM1 (0.49) GRM1KDM4EALDH1A1GRM5GRM2
SCHEMBL20129652 0.77 GRM1 (0.46) GRM1KDM4EALDH1A1GRM5GRM2
SCHEMBL27488325 0.77 GRM1 (0.49) GRM1KDM4EALDH1A1GRM5GRM2
SCHEMBL21667804 0.76 BPTF (0.53) GRM1CHRNB2CHRNA4KDM4EGRM5
SCHEMBL20139988 0.76 USP25 (0.38) CHRNB2CHRNA4ALDH1A1
SCHEMBL20157244 0.75 GRM1 (0.43) GRM1CHRNB2CHRNA4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL20511262 0.75 BPTF (0.51) GRM1CHRNB2CHRNA4KDM4EGRM5
SCHEMBL19665127 0.74 GRM1 (0.47) GRM1KDM4EALDH1A1GRM5GRM2

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed