SCHEMBL20159007

SCHEMBL20159007

Cn1cc(CN2CCN(c3ccccc3)CC2)cc1C(=O)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
MTOR P42345 2/20 0.52
RPTOR Q8N122 2/20 0.52
MLST8 Q9BVC4 2/20 0.52
HRH3 Q9Y5N1 2/20 0.50
KDM4E B2RXH2 2/20 0.50
DRD2 P14416 2/20 0.50
ALOX15 P16050 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CACNA1G O43497 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL20159166 1.00 POLB (0.55) POLBLMNAMTORRPTORMLST8
SCHEMBL20140559 0.89 MTOR (0.52) MTORRPTORMLST8HRH3KDM4E
SCHEMBL20159024 0.89 MTOR (0.64) POLBMTORRPTORMLST8HRH3
SCHEMBL20158948 0.87 MTOR (0.49) MTORRPTORMLST8HRH3KDM4E
SCHEMBL20159123 0.86 MTOR (0.69) MTORRPTORMLST8HRH3DRD2
SCHEMBL20159115 0.85 MTOR (0.55) POLBLMNAMTORRPTORMLST8
SCHEMBL20159079 0.85 MTOR (0.52) POLBLMNAMTORRPTORMLST8
SCHEMBL20159286 0.84 MTOR (0.51) POLBLMNAMTORRPTORMLST8
SCHEMBL20158933 0.83 HRH3 (0.47) POLBLMNAMTORRPTORMLST8
Trifluoroacetic Acid SCHEMBL20139757 0.82 MTOR (0.50) POLBLMNAMTORRPTORMLST8

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