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SCHEMBL20159162

SCHEMBL20159162

CC1CN(c2cccc(-c3ccc(Cl)c(N4CCN(Cc5cc(C(=O)O)n(C)c5)CC4)c3)c2)CCN1C(=O)c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.47
▸ RPTOR Q8N122 2/20 0.47
▸ MLST8 Q9BVC4 2/20 0.47
▸ CHRM2 P08172 8/20 0.43
▸ CHRM1 P11229 7/20 0.43
▸ CHRM3 P20309 3/20 0.43
▸ CHRM5 P08912 2/20 0.43
▸ CHRM4 P08173 5/20 0.41
▸ HTR7 P34969 1/20 0.39
▸ MGLL Q99685 1/20 0.37
▸ SCD5 Q86SK9 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
SCHEMBL20139324 0.89 MTOR (0.52) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20139564 0.89 MTOR (0.52) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20139322 0.89 MTOR (0.52) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159165 0.88 MTOR (0.51) MTORRPTORMLST8HTR7
SCHEMBL20159120 0.84 MTOR (0.55) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20141803 0.83 MTOR (0.54) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20141802 0.83 MTOR (0.54) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140804 0.83 MTOR (0.53) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140802 0.83 MTOR (0.53) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20159150 0.82 MTOR (0.47) MTORRPTORMLST8CHRM2CHRM1

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