SCHEMBL20142336

SCHEMBL20142336

CC(C)(C)C1CN(c2cccc(F)n2)CCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.47
GAA P10253 1/20 0.38
RIPK1 Q13546 2/20 0.36
ALOX5 P09917 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
GRM4 Q14833 1/20 0.36
FFAR1 O14842 1/20 0.35
TTR P02766 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
LMNA P02545 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A7 Q99884 1/20 0.34
ACACB O00763 1/20 0.34
PRKCQ Q04759 1/20 0.34
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL20140757 0.87 GRIN2B (0.44) GRM1DGAT2DRD3ACACB
SCHEMBL27128220 0.82 GRM1 (0.52) GRM1DRD2DRD3
SCHEMBL4524209 0.80 HTR3E (0.47) GRM1DRD3SLC6A7ACACB
SCHEMBL4531399 0.77 CHRM4 (0.51) GRM1ALOX5TTRDGAT2DRD3
SCHEMBL27130857 0.77 NOTUM (0.48) LMNADRD2DRD3SLC6A7MEN1
SCHEMBL5652856 0.75 GRIN2D (0.42) GRM1LMNAMEN1KMT2A
SCHEMBL15205472 0.74 CHRM4 (0.42) GRM1ACACBKMT2A
SCHEMBL20142342 0.74 NOTUM (0.51) RIPK1LMNADRD2DRD3SLC6A7
SCHEMBL22581659 0.74 CHRM2 (0.41) ACACB
SCHEMBL27131408 0.73 MAPT (0.40) RIPK1FFAR1LMNAMEN1KMT2A

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