SCHEMBL20156797

SCHEMBL20156797

Cc1cc(C)c(C(=O)N2CCN(c3nccc4cn[nH]c34)C[C@@H]2C)cc1CN1CCN(c2ccccc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HCRTR2 O43614 5/20 0.38
MTOR P42345 1/20 0.38
RPTOR Q8N122 1/20 0.38
MLST8 Q9BVC4 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
AVPR1A P37288 1/20 0.37
TRPC5 Q9UL62 2/20 0.37
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL20141564 0.92 MTOR (0.43) MEN1KMT2AHCRTR2MTORRPTOR
SCHEMBL20141561 0.92 MTOR (0.43) MEN1KMT2AHCRTR2MTORRPTOR
SCHEMBL20156998 0.83 MTOR (0.43) MEN1KMT2AHCRTR2MTORRPTOR
SCHEMBL20141589 0.83 MTOR (0.43) MEN1KMT2AHCRTR2MTORRPTOR
SCHEMBL20141592 0.83 MTOR (0.43) MEN1KMT2AHCRTR2MTORRPTOR
SCHEMBL20156826 0.82 MTOR (0.46) MEN1KMT2AMTORRPTORMLST8
SCHEMBL20140773 0.79 MTOR (0.49) MTORRPTORMLST8LMNAGAA
SCHEMBL20157149 0.76 MTOR (0.39) MEN1KMT2AMTORRPTORMLST8
SCHEMBL20141016 0.75 MTOR (0.53) MEN1KMT2AMTORRPTORMLST8
SCHEMBL20157035 0.73 NPC1 (0.46) MEN1KMT2AMTORRPTORMLST8

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