SCHEMBL20159083

SCHEMBL20159083

Cc1c(CN2CCN(c3ccccc3CCCN)CC2)cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)n1C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.57
RPTOR Q8N122 6/20 0.57
MLST8 Q9BVC4 6/20 0.57
SCD5 Q86SK9 1/20 0.41
CHRM4 P08173 6/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.37
HTR7 P34969 2/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL20159033 1.00 MTOR (0.57) MTORRPTORMLST8SCD5CHRM4
SCHEMBL20159032 1.00 MTOR (0.57) MTORRPTORMLST8SCD5CHRM4
Trifluoroacetic Acid SCHEMBL20142573 0.95 MTOR (0.55) MTORRPTORMLST8SCD5CHRM4
Trifluoroacetic Acid SCHEMBL20141728 0.95 MTOR (0.55) MTORRPTORMLST8SCD5CHRM4
SCHEMBL20140150 0.90 MTOR (0.57) MTORRPTORMLST8SCD5CHRM4
SCHEMBL20159096 0.87 MTOR (0.60) MTORRPTORMLST8KMT2AHTR7
SCHEMBL20139264 0.87 MTOR (0.52) MTORRPTORMLST8SCD5CHRM4
SCHEMBL20139828 0.87 MTOR (0.49) MTORRPTORMLST8SCD5NPC1
SCHEMBL20139602 0.86 MTOR (0.65) MTORRPTORMLST8CHRM4HTR7
SCHEMBL20139606 0.86 MTOR (0.65) MTORRPTORMLST8CHRM4HTR7

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