SCHEMBL20140686

SCHEMBL20140686

N#Cc1ccccc1N1CC2CN(C(=O)O)CC2C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.64
HCRTR1 O43613 2/20 0.48
HCRTR2 O43614 2/20 0.48
GRM5 P41594 1/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR7 P34969 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
BRD4 O60885 1/20 0.40
MC4R P32245 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NAMPT P43490 1/20 0.39
NOTUM Q6P988 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL2456832 0.80 GRM1 (0.56) GRM1HCRTR1HCRTR2GRM5HTR7
SCHEMBL5369598 0.80 GRM5 (0.60) GRM5DRD2DRD4DPP4MC4R
SCHEMBL20140595 0.78 GRM1 (0.50) GRM1GRM5DRD2DRD4DPP4
SCHEMBL20139540 0.78 GRM1 (0.47) GRM1GRM5DRD2DRD4DPP4
SCHEMBL20141122 0.76 GRM1 (0.48) GRM1GRM5DRD2DRD4DPP4
SCHEMBL30619380 0.75 GRM1 (0.49) GRM1GRM5DRD2DRD4HTR7
SCHEMBL27488325 0.75 GRM1 (0.49) GRM1GRM5DRD2DRD4HTR7
SCHEMBL1394196 0.75 RBP4 (0.57) HCRTR1HCRTR2NOTUM
SCHEMBL21667804 0.74 BPTF (0.53) GRM1GRM5DRD2DRD4HTR7
SCHEMBL20141154 0.74 GRM1 (0.48) GRM1GRM5DRD2DRD4DPP4

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