SCHEMBL20157093

SCHEMBL20157093

COC(=O)c1cc(CC2=CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
GRM1 Q13255 6/20 0.38
EED O75530 1/20 0.38
RBBP4 Q09028 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38
AEBP2 Q6ZN18 1/20 0.38
PDK4 Q16654 1/20 0.37
NAMPT P43490 1/20 0.37
NR1H2 P55055 2/20 0.36
PKM P14618 1/20 0.35
ESR2 Q92731 1/20 0.35
JAK1 P23458 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 1/20 0.35
SCN9A Q15858 1/20 0.35
GNRHR P30968 1/20 0.35
WNT3A P56704 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
SCHEMBL20141391 0.76 MEN1 (0.35) GRM5GRM1EEDRBBP4SUZ12
SCHEMBL20142115 0.75 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL24718042 0.75 PDK4 (0.48) GRM5GRM1PDK4NAMPTJAK1
SCHEMBL30798488 0.75 PDK4 (0.48) GRM5GRM1PDK4NAMPTJAK1
SCHEMBL15594974 0.75 GRM5 (0.53) GRM5GRM1PDK4NAMPT
SCHEMBL3033965 0.74 NAMPT (0.54) GRM5GRM1PDK4NAMPTJAK1
SCHEMBL29826797 0.74 HTT (0.50) GRM5GRM1PDK4NAMPTNR1H2
SCHEMBL1764110 0.73 PDK4 (0.49) GRM5GRM1PDK4NAMPTJAK1
SCHEMBL29826188 0.73 GRM5 (0.44) GRM5GRM1PDK4NAMPTWNT3A
SCHEMBL1763593 0.73 PDK4 (0.47) GRM5GRM1PDK4NAMPTJAK1

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