SCHEMBL20140595

SCHEMBL20140595

N#Cc1ccccc1N1CC2CC(C1)N2C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.50
GRM5 P41594 1/20 0.46
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
KMT2A Q03164 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
DRD3 P35462 2/20 0.38
GRM2 Q14416 1/20 0.38
NOTUM Q6P988 1/20 0.38
ADAM17 P78536 1/20 0.37
MAPT P10636 1/20 0.37
CHRM4 P08173 1/20 0.37
MC4R P32245 1/20 0.37
BRD4 O60885 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
SCHEMBL20139540 0.91 GRM1 (0.47) GRM1GRM5DRD2DRD4DPP4
SCHEMBL20139986 0.80 GPR119 (0.46) GRM1GRM5
SCHEMBL20140686 0.78 GRM1 (0.64) GRM1GRM5DRD2DRD4DPP4
SCHEMBL20141122 0.75 GRM1 (0.48) GRM1GRM5DRD2DRD4DPP4
SCHEMBL27488325 0.74 GRM1 (0.49) GRM1GRM5DRD2DRD4DPP4
SCHEMBL30619380 0.74 GRM1 (0.49) GRM1GRM5DRD2DRD4DPP4
SCHEMBL19211089 0.72 ALDH1A1 (0.41) DRD4KMT2A
SCHEMBL20139227 0.72 GPR119 (0.53) GRM1GRM5CHRM4
SCHEMBL20139980 0.72 MTOR (0.46) GRM1GRM5DRD2DRD4DPP4
SCHEMBL5369598 0.72 GRM5 (0.60) GRM5DRD2DRD4DPP4DRD3

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