SCHEMBL20140054

SCHEMBL20140054

COCN(CCCc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccc(F)cn4)C[C@H]3C)c(C)cc2C)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.42
CHRM4 P08173 4/20 0.41
GRM1 Q13255 1/20 0.37
PPARG P37231 1/20 0.36
CHRM2 P08172 4/20 0.36
CHRM3 P20309 2/20 0.36
MTOR P42345 1/20 0.35
RPTOR Q8N122 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
CXCR3 P49682 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL20157121 0.93 CHRM1 (0.41) CHRM1CHRM4GRM1PPARGCHRM2
SCHEMBL20140732 0.87 CHRM1 (0.47) CHRM1CHRM4GRM1PPARGCHRM2
SCHEMBL20157507 0.87 CHRM1 (0.47) CHRM1CHRM4GRM1PPARGCHRM2
SCHEMBL20140051 0.85 MTOR (0.41) CHRM4GRM1CHRM2MTORRPTOR
Trifluoroacetic Acid SCHEMBL20140845 0.85 CHRM4 (0.45) CHRM1CHRM4GRM1PPARGCHRM2
Trifluoroacetic Acid SCHEMBL20141567 0.85 CHRM4 (0.45) CHRM1CHRM4GRM1PPARGCHRM2
Trifluoroacetic Acid SCHEMBL20141565 0.85 CHRM4 (0.45) CHRM1CHRM4GRM1PPARGCHRM2
SCHEMBL20140780 0.81 CHRM4 (0.42) CHRM1CHRM4GRM1PPARGCHRM2
SCHEMBL20140070 0.81 MTOR (0.47) CHRM1CHRM4GRM1PPARGMTOR
SCHEMBL20140046 0.81 MTOR (0.47) CHRM1CHRM4GRM1PPARGMTOR

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