SCHEMBL20140757

SCHEMBL20140757

Cc1cccc(N2CCCN(C(=O)O)C(C(C)(C)C)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.44
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
ACACB O00763 2/20 0.39
KCNH2 Q12809 1/20 0.39
PARP1 P09874 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
GRM1 Q13255 1/20 0.36
TRPA1 O75762 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
SCHEMBL4524209 0.93 HTR3E (0.47) GRIN2BHCRTR1HCRTR2GPBAR1HTR3E
SCHEMBL20142336 0.87 GRM1 (0.47) DRD3ACACBDGAT2GRM1
SCHEMBL27128220 0.83 GRM1 (0.52) HTR1AHTR2ADRD3KDM4ERECQL
SCHEMBL5652856 0.79 GRIN2D (0.42) GRIN2BPARP1KDM4EGRM1
SCHEMBL4531399 0.78 CHRM4 (0.51) HCRTR1HCRTR2HTR1AHTR2ADRD3
SCHEMBL27131408 0.76 MAPT (0.40) KDM4ERECQL
SCHEMBL20141642 0.76 HTR3E (0.56) HCRTR1HCRTR2HTR3EHTR3BHTR3A
SCHEMBL15205472 0.75 CHRM4 (0.42) GRIN2BACACBKDM4EGRM1
SCHEMBL20142342 0.75 NOTUM (0.51) HTR1ADRD3
SCHEMBL4009517 0.74 POLB (0.43) HTR1AHTR2APARP1KDM4E

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