SCHEMBL20142570

SCHEMBL20142570

CC(C)(C)C1CN(c2cccc3cc[nH]c23)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
SLC6A7 Q99884 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PDPK1 O15530 1/20 0.35
BCHE P06276 3/20 0.34
GOT1 P17174 2/20 0.33
RBP4 P02753 2/20 0.33
GHSR Q92847 1/20 0.33
HTR6 P50406 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
IDO1 P14902 1/20 0.33
NOTUM Q6P988 1/20 0.32
LIMK2 P53671 1/20 0.32

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
SCHEMBL4558300 0.82 SLC6A9 (0.44) SLC6A7HTR6
SCHEMBL20141537 0.78 KEAP1 (0.47) KEAP1PDPK1BCHEGOT1
SCHEMBL6971671 0.77 HTR2A (0.45) SLC6A7
SCHEMBL20139744 0.77 MAP4K4 (0.46) BCHEIDO1
SCHEMBL30881604 0.77 ADRA2C (0.45) KEAP1SLC6A7RBP4NOTUM
SCHEMBL17491559 0.77 ADRA2C (0.45) KEAP1SLC6A7RBP4NOTUM
SCHEMBL4009517 0.76 POLB (0.43) SLC6A7
SCHEMBL2327343 0.76 RBP4 (0.37) SLC6A7HCRTR1RBP4NOTUM
SCHEMBL2760636 0.75 DRD2 (0.51)
SCHEMBL29252729 0.75 AGTR2 (0.48) SLC6A7NOTUM

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