SCHEMBL20141929

SCHEMBL20141929

Cc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
MTOR P42345 1/20 0.47
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47
PRKAA2 P54646 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM4 P08173 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20140645 0.92 PPARG (0.49) PPARGMTORRPTORMLST8ALDH1A1
SCHEMBL20141811 0.92 PPARG (0.46) PPARGMTORRPTORMLST8ALDH1A1
SCHEMBL20141688 0.89 MTOR (0.48) MTORRPTORMLST8PRKAA2KDM4E
SCHEMBL20140812 0.89 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10CHRM4
SCHEMBL20157329 0.89 PPARA (0.49) MTORRPTORMLST8PRKAA2ALDH1A1
SCHEMBL20140429 0.88 MTOR (0.48) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20157304 0.84 MTOR (0.47) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141948 0.83 SMN1; SMN2 (0.51) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20139934 0.80 PPARG (0.47) PPARGMTORRPTORMLST8PRKAA2
SCHEMBL20141357 0.80 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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed