SCHEMBL20158901

SCHEMBL20158901

COCCn1cc(CN2CCN(c3ccccc3)CC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.62
RPTOR Q8N122 4/20 0.62
MLST8 Q9BVC4 4/20 0.62
HTR7 P34969 4/20 0.44
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 3/20 0.42
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL20158898 0.96 MTOR (0.55) MTORRPTORMLST8HTR7DRD2
SCHEMBL20158905 0.91 HTR7 (0.56) MTORRPTORMLST8HTR7DRD2
SCHEMBL20158902 0.89 MTOR (0.57) MTORRPTORMLST8HTR7DRD2
SCHEMBL20159123 0.87 MTOR (0.69) MTORRPTORMLST8HTR7DRD2
SCHEMBL20159116 0.86 MTOR (0.45) MTORRPTORMLST8HTR7TP53
SCHEMBL20159109 0.82 MTOR (0.50) MTORRPTORMLST8HTR7TP53
SCHEMBL20158900 0.80 MTOR (0.56) MTORRPTORMLST8HTR7DRD2
SCHEMBL20159021 0.79 CACNA1G (0.48) MTORRPTORMLST8HTR7LMNA
SCHEMBL20159036 0.78 MTOR (0.58) MTORRPTORMLST8HTR7DRD2
SCHEMBL20159017 0.78 MTOR (0.58) MTORRPTORMLST8HTR7DRD2

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