SCHEMBL20157004

SCHEMBL20157004

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccn2)CC1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.47
MTOR P42345 2/20 0.47
RPTOR Q8N122 2/20 0.47
MLST8 Q9BVC4 2/20 0.47
GRM1 Q13255 7/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL20157005 1.00 CHRM4 (0.47) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20142175 0.91 GRM1 (0.50) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20157300 0.89 MTOR (0.43) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20157302 0.89 MTOR (0.43) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20141840 0.89 GRM1 (0.49) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20157081 0.88 CHRM4 (0.49) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20157075 0.88 CHRM4 (0.49) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20157188 0.87 MTOR (0.55) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20157186 0.87 MTOR (0.55) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20157309 0.86 MTOR (0.47) CHRM4MTORRPTORMLST8GRM1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed