SCHEMBL20157290

SCHEMBL20157290

Cc1ccc(CN2CCN(c3ccccc3C)CC2)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.50
RPTOR Q8N122 1/20 0.50
MLST8 Q9BVC4 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 2/20 0.43
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL20157205 0.88 MTOR (0.54) MTORRPTORMLST8ALDH1A1NPSR1
SCHEMBL20141098 0.84 MTOR (0.71) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156911 0.79 KDM4E (0.55) KDM4EALDH1A1NPSR1DRD2DRD4
SCHEMBL20157212 0.77 GBA1 (0.51) KDM4EALDH1A1NPSR1DRD2DRD4
SCHEMBL20140044 0.73 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20157118 0.73 MTOR (0.76) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140693 0.71 HCRTR1 (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20157066 0.70 MTOR (0.46) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156931 0.70 MTOR (0.51) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20157082 0.70 MYC (0.54) KDM4EALDH1A1NPSR1HSD17B10USP2

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