SCHEMBL20154261

SCHEMBL20154261

CO[C@@H](CCCc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4)C[C@H]3C)n(C)c2C)CC1)OC(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.47
RPTOR Q8N122 4/20 0.47
MLST8 Q9BVC4 4/20 0.47
CHRM4 P08173 10/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SCD5 Q86SK9 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 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
SCHEMBL20139828 0.90 MTOR (0.49) MTORRPTORMLST8NPC1RAB9A
SCHEMBL20159032 0.82 MTOR (0.57) MTORRPTORMLST8CHRM4NPC1
SCHEMBL20159083 0.82 MTOR (0.57) MTORRPTORMLST8CHRM4NPC1
SCHEMBL20159033 0.82 MTOR (0.57) MTORRPTORMLST8CHRM4NPC1
SCHEMBL20140150 0.81 MTOR (0.57) MTORRPTORMLST8CHRM4NPC1
SCHEMBL20154262 0.80 MTOR (0.48) MTORRPTORMLST8CHRM4NPC1
Trifluoroacetic Acid SCHEMBL20141728 0.80 MTOR (0.55) MTORRPTORMLST8CHRM4SCD5
Trifluoroacetic Acid SCHEMBL20142573 0.80 MTOR (0.55) MTORRPTORMLST8CHRM4SCD5
SCHEMBL20139350 0.80 MTOR (0.47) MTORRPTORMLST8CHRM4NPC1
SCHEMBL20139349 0.80 MTOR (0.47) MTORRPTORMLST8CHRM4NPC1

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed