SCHEMBL20140338

SCHEMBL20140338

CC1CN(c2ccccc2C#N)CCN1C(=O)c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.59
RPTOR Q8N122 3/20 0.59
MLST8 Q9BVC4 3/20 0.59
GRM1 Q13255 1/20 0.47
CHRM2 P08172 8/20 0.45
CHRM4 P08173 5/20 0.42
CHRM1 P11229 7/20 0.41
CHRM5 P08912 3/20 0.41
HTR7 P34969 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL20140335 1.00 MTOR (0.59) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20158994 0.96 MTOR (0.53) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20140565 0.93 MTOR (0.58) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20140568 0.93 MTOR (0.58) MTORRPTORMLST8GRM1CHRM2
SCHEMBL20143031 0.89 MTOR (0.76) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20140134 0.89 MTOR (0.76) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20159120 0.88 MTOR (0.55) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20139324 0.88 MTOR (0.52) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20139322 0.88 MTOR (0.52) MTORRPTORMLST8CHRM2CHRM4
SCHEMBL20139564 0.88 MTOR (0.52) MTORRPTORMLST8CHRM2CHRM4

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