SCHEMBL20159110

SCHEMBL20159110

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cc(Cl)ccn3)CC2)n1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.57
RPTOR Q8N122 6/20 0.57
MLST8 Q9BVC4 6/20 0.57
GRM5 P41594 2/20 0.46
HSD17B10 Q99714 4/20 0.43
HTR7 P34969 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
PLA2G1B P04054 1/20 0.42
RAB9A P51151 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 1/20 0.42
HPGD P15428 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
SCHEMBL20159158 0.91 MTOR (0.63) MTORRPTORMLST8GRM5DRD2
SCHEMBL20158993 0.89 MTOR (0.64) MTORRPTORMLST8HTR7DRD2
SCHEMBL20159267 0.89 MTOR (0.56) MTORRPTORMLST8HTR7DRD2
SCHEMBL20159030 0.87 MTOR (0.62) MTORRPTORMLST8HTR7DRD2
SCHEMBL20139236 0.85 MTOR (0.68) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20159112 0.84 MTOR (0.58) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140555 0.84 MTOR (0.78) MTORRPTORMLST8HTR7DRD2
SCHEMBL20159019 0.82 MTOR (0.59) MTORRPTORMLST8HTR7DRD2
SCHEMBL20159231 0.82 MTOR (0.68) MTORRPTORMLST8HSD17B10HTR7
SCHEMBL20159152 0.82 MTOR (0.65) MTORRPTORMLST8HSD17B10DRD2

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