SCHEMBL20140720

SCHEMBL20140720

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1OC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.57
RPTOR Q8N122 6/20 0.57
MLST8 Q9BVC4 6/20 0.57
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRM5 P41594 1/20 0.43
SLC6A9 P48067 4/20 0.43
NAMPT P43490 1/20 0.43
THRB P10828 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
SCHEMBL20133739 0.83 MTOR (0.78) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141464 0.83 MTOR (0.56) MTORRPTORMLST8MAPTALDH1A1
SCHEMBL20140607 0.82 MTOR (0.54) MTORRPTORMLST8MAPTALDH1A1
SCHEMBL20140278 0.81 MTOR (0.54) MTORRPTORMLST8MAPTALDH1A1
SCHEMBL20156949 0.81 MTOR (0.54) MTORRPTORMLST8MAPTALDH1A1
SCHEMBL20150218 0.80 MTOR (0.74) MTORRPTORMLST8KDM4ELMNA
SCHEMBL20140863 0.80 MTOR (0.54) MTORRPTORMLST8MAPTALDH1A1
SCHEMBL20139916 0.80 MTOR (0.54) MTORRPTORMLST8MAPTALDH1A1
SCHEMBL22693146 0.80 MTOR (0.73) MTORRPTORMLST8KDM4ELMNA
SCHEMBL20142111 0.79 MTOR (0.57) MTORRPTORMLST8ALDH1A1GRM5

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