SCHEMBL20140134

SCHEMBL20140134

C[C@H]1CN(c2cccc(F)c2C#N)CCN1C(=O)c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1C

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.76
RPTOR Q8N122 2/20 0.76
MLST8 Q9BVC4 2/20 0.76
CHRM2 P08172 10/20 0.46
CHRM5 P08912 4/20 0.46
CHRM4 P08173 8/20 0.45
CHRM1 P11229 7/20 0.43
CHRM3 P20309 2/20 0.40

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
SCHEMBL20143031 1.00 MTOR (0.76) MTORRPTORMLST8CHRM2CHRM5
SCHEMBL20140335 0.89 MTOR (0.59) MTORRPTORMLST8CHRM2CHRM5
SCHEMBL20140338 0.89 MTOR (0.59) MTORRPTORMLST8CHRM2CHRM5
SCHEMBL20140568 0.87 MTOR (0.58) MTORRPTORMLST8CHRM2CHRM5
SCHEMBL20140565 0.87 MTOR (0.58) MTORRPTORMLST8CHRM2CHRM5
SCHEMBL20139537 0.86 MTOR (1.00) MTORRPTORMLST8CHRM2CHRM5
SCHEMBL20139536 0.86 MTOR (1.00) MTORRPTORMLST8CHRM2CHRM5
SCHEMBL20159120 0.85 MTOR (0.55) MTORRPTORMLST8CHRM2CHRM5
SCHEMBL20139300 0.85 CHRM4 (0.58) MTORRPTORMLST8CHRM2CHRM5
SCHEMBL20139298 0.85 CHRM4 (0.58) MTORRPTORMLST8CHRM2CHRM5

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