SCHEMBL20159040

SCHEMBL20159040

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)n1CCCNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.52
RPTOR Q8N122 2/20 0.52
MLST8 Q9BVC4 2/20 0.52
DRD2 P14416 8/20 0.46
CHRM4 P08173 3/20 0.42
DRD4 P21917 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
SLC6A4 P31645 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL20159039 0.86 MTOR (0.60) MTORRPTORMLST8DRD2CHRM4
Hydrochloric Acid SCHEMBL20140946 0.85 MTOR (0.59) MTORRPTORMLST8DRD2CHRM4
Hydrochloric Acid SCHEMBL20140947 0.85 MTOR (0.59) MTORRPTORMLST8DRD2CHRM4
SCHEMBL20159042 0.82 DRD2 (0.42) DRD2CHRM4LMNATP53MAPT
SCHEMBL20141650 0.77 MTOR (0.71) MTORRPTORMLST8DRD2CHRM4
SCHEMBL20141653 0.77 MTOR (0.71) MTORRPTORMLST8DRD2CHRM4
SCHEMBL20159012 0.77 MTOR (0.72) MTORRPTORMLST8DRD2CHRM4
SCHEMBL20159113 0.75 MTOR (0.73) MTORRPTORMLST8DRD2CHRM4
SCHEMBL20141139 0.75 MTOR (0.72) MTORRPTORMLST8DRD2CHRM4
SCHEMBL20141137 0.75 MTOR (0.72) MTORRPTORMLST8DRD2CHRM4

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