SCHEMBL20157100

SCHEMBL20157100

Cc1cc(C)c(C(=O)N2CCN(c3cc(CCN)ccc3C#N)CC2)cc1CN1CCN(c2ccc(-c3ccc(C#N)c(N4CCN(c5c[nH]c6cc(C)c(C(=O)N7CCN(c8ccccc8C#N)CC7)cc56)CC4)c3)cc2C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.42
HTR1A P08908 2/20 0.42
MTOR P42345 6/20 0.40
RPTOR Q8N122 6/20 0.40
MLST8 Q9BVC4 6/20 0.40
PARP1 P09874 1/20 0.38
TACR3 P29371 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM1A O60341 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
DRD4 P21917 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL20140345 0.88 MTOR (0.49) HTR1DHTR1AMTORRPTORMLST8
SCHEMBL20141682 0.79 AVPR1A (0.49) HTR1DHTR1AMTORRPTORMLST8
SCHEMBL20140200 0.78 MTOR (0.59) MTORRPTORMLST8PARP1TACR3
SCHEMBL20141003 0.77 MTOR (0.54) MTORRPTORMLST8PARP1HTT
SCHEMBL20140926 0.77 MTOR (0.54) MTORRPTORMLST8PARP1HTT
SCHEMBL20140889 0.77 MTOR (0.49) HTR1DHTR1AMTORRPTORMLST8
SCHEMBL20140719 0.75 MTOR (0.57) MTORRPTORMLST8PARP1HTT
SCHEMBL20140246 0.75 MTOR (0.57) MTORRPTORMLST8PARP1HTT
SCHEMBL20140728 0.75 MTOR (0.46) MTORRPTORMLST8PARP1HTR2A
SCHEMBL20141543 0.75 MTOR (0.54) MTORRPTORMLST8PARP1HTT

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