SCHEMBL20157121

SCHEMBL20157121

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.41
CHRM4 P08173 3/20 0.40
PPARG P37231 1/20 0.37
HDAC1 Q13547 1/20 0.36
GRM1 Q13255 2/20 0.36
CHRM2 P08172 5/20 0.35
CHRM3 P20309 3/20 0.35
MTOR P42345 1/20 0.34
RPTOR Q8N122 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL20140054 0.93 CHRM1 (0.42) CHRM1CHRM4PPARGGRM1CHRM2
SCHEMBL20142371 0.86 MTOR (0.40) CHRM4GRM1CHRM2MTORRPTOR
SCHEMBL20142546 0.86 MTOR (0.40) CHRM4GRM1CHRM2MTORRPTOR
SCHEMBL20140732 0.85 CHRM1 (0.47) CHRM1CHRM4PPARGHDAC1GRM1
SCHEMBL20157507 0.85 CHRM1 (0.47) CHRM1CHRM4PPARGHDAC1GRM1
Trifluoroacetic Acid SCHEMBL20141565 0.83 CHRM4 (0.45) CHRM1CHRM4PPARGHDAC1GRM1
Trifluoroacetic Acid SCHEMBL20141567 0.83 CHRM4 (0.45) CHRM1CHRM4PPARGHDAC1GRM1
Trifluoroacetic Acid SCHEMBL20140845 0.83 CHRM4 (0.45) CHRM1CHRM4PPARGHDAC1GRM1
SCHEMBL20140780 0.82 CHRM4 (0.42) CHRM1CHRM4PPARGHDAC1GRM1
SCHEMBL20157124 0.81 PPARG (0.42) CHRM1PPARGMEN1KMT2A

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