SCHEMBL20141741

SCHEMBL20141741

COc1cc(C)c(N(c2ccccc2C#N)C2CCNCC2)cc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.42
RPTOR Q8N122 4/20 0.42
MLST8 Q9BVC4 4/20 0.42
EED O75530 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A9 P48067 4/20 0.38
CFTR P13569 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL20141403 0.90 MTOR (0.43) MTORRPTORMLST8MAPTHTT
SCHEMBL20140814 0.89 MTOR (0.45) MTORRPTORMLST8EEDALDH1A1
SCHEMBL20141023 0.88 EED (0.45) EEDALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL20141228 0.88 MTOR (0.45) MTORRPTORMLST8EEDLMNA
SCHEMBL20141317 0.87 MTOR (0.46) MTORRPTORMLST8MAPTHTT
SCHEMBL20141169 0.86 MTOR (0.45) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20140851 0.85 MTOR (0.44) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20141024 0.85 MTOR (0.46) MTORRPTORMLST8EEDALDH1A1
SCHEMBL20141263 0.84 MTOR (0.46) MTORRPTORMLST8MAPTHTT
SCHEMBL20140929 0.82 MTOR (0.57) MTORRPTORMLST8ALDH1A1KDM4E

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
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed