SCHEMBL20140429

SCHEMBL20140429

Cc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)c(C)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
CHRM4 P08173 1/20 0.42
PARP1 P09874 5/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPA1 O75762 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
SCHEMBL20140590 0.88 PARP1 (0.49) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20157304 0.88 MTOR (0.47) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20141929 0.88 PPARG (0.47) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20140645 0.88 PPARG (0.49) MTORRPTORMLST8CHRM4PARP1
SCHEMBL20140812 0.87 ALDH1A1 (0.56) CHRM4KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL20141811 0.86 PPARG (0.46) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20141688 0.85 MTOR (0.48) MTORRPTORMLST8KDM4EHTT
SCHEMBL20141948 0.84 SMN1; SMN2 (0.51) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL20157329 0.83 PPARA (0.49) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20141357 0.81 MTOR (0.43) MTORRPTORMLST8CHRM4MEN1

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