SCHEMBL20142053

SCHEMBL20142053

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1(N(C(=O)O)C(C)(C)C)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.43
RPTOR Q8N122 8/20 0.43
MLST8 Q9BVC4 8/20 0.43
RBP4 P02753 1/20 0.39
DPP4 P27487 1/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.38
GRM5 P41594 1/20 0.38
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
THRB P10828 1/20 0.37
TACR3 P29371 1/20 0.36

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
SCHEMBL20141994 0.86 DRD4 (0.44) MTORRPTORMLST8DPP4ALDH1A1
SCHEMBL20156796 0.83 MTOR (0.47) MTORRPTORMLST8DPP4PARP1
SCHEMBL20156795 0.82 MTOR (0.49) MTORRPTORMLST8DPP4PARP1
Trifluoroacetic Acid SCHEMBL20140050 0.81 MTOR (0.46) MTORRPTORMLST8DPP4PARP1
SCHEMBL20142054 0.80 MTOR (0.45) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20157437 0.79 MTOR (0.45) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20141464 0.78 MTOR (0.56) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20140200 0.77 MTOR (0.59) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140052 0.77 MTOR (0.45) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140695 0.76 MTOR (0.51) MTORRPTORMLST8DPP4PARP1

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