SCHEMBL20142006

SCHEMBL20142006

Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)c(F)c3)C[C@@H]2C)n1C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.60
RPTOR Q8N122 2/20 0.60
MLST8 Q9BVC4 2/20 0.60
CHRM2 P08172 4/20 0.44
CHRM1 P11229 4/20 0.44
TRPV1 Q8NER1 5/20 0.42
CHRM3 P20309 2/20 0.42
CHRM5 P08912 1/20 0.42
CHRM4 P08173 3/20 0.41
MGLL Q99685 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
SLC6A7 Q99884 2/20 0.38

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
SCHEMBL20142009 1.00 MTOR (0.60) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140499 0.92 MTOR (0.57) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140502 0.92 MTOR (0.57) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140493 0.92 MTOR (0.56) MTORRPTORMLST8CHRM1TRPV1
SCHEMBL20140492 0.92 MTOR (0.56) MTORRPTORMLST8CHRM1TRPV1
SCHEMBL20139219 0.88 MTOR (0.73) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20139220 0.88 MTOR (0.73) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140306 0.87 MTOR (0.74) MTORRPTORMLST8CHRM4MALT1
SCHEMBL20140249 0.87 MTOR (0.60) MTORRPTORMLST8CHRM2CHRM1
SCHEMBL20140252 0.87 MTOR (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE 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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed