SCHEMBL20158933

SCHEMBL20158933

Cc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4cc(F)cc(F)c4)CC3)n(C)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
ATM Q13315 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTOR P42345 2/20 0.43
RPTOR Q8N122 2/20 0.43
MLST8 Q9BVC4 2/20 0.43
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL20140559 0.90 MTOR (0.52) HRH3ATMMEN1KMT2AALDH1A1
SCHEMBL20159007 0.83 POLB (0.55) HRH3POLBMEN1KMT2ALMNA
SCHEMBL20159166 0.83 POLB (0.55) HRH3POLBMEN1KMT2ALMNA
SCHEMBL20159115 0.83 MTOR (0.55) HRH3POLBLMNAMTORRPTOR
SCHEMBL20159079 0.82 MTOR (0.52) HRH3POLBLMNAMTORRPTOR
SCHEMBL20159024 0.81 MTOR (0.64) HRH3POLBMEN1KMT2AMTOR
SCHEMBL20159286 0.80 MTOR (0.51) HRH3POLBLMNAMTORRPTOR
SCHEMBL20158948 0.79 MTOR (0.49) HRH3MEN1KMT2AALDH1A1KDM4E
SCHEMBL20159008 0.78 NPY2R (0.51) HRH3POLBMTORRPTORMLST8
SCHEMBL20159123 0.78 MTOR (0.69) HRH3MTORRPTORMLST8TP53

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed