SCHEMBL20149883

SCHEMBL20149883

CCN(c1cc(C(=O)N2CCN(c3ccccc3SN)CC2)c(C)cc1C)C1CCN(c2ccccc2C#N)CC1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.45
RPTOR Q8N122 10/20 0.45
MLST8 Q9BVC4 10/20 0.45
ALDH1A1 P00352 1/20 0.37
NAMPT P43490 1/20 0.35
ADAM17 P78536 2/20 0.35
GRM5 P41594 1/20 0.35
PARP1 P09874 1/20 0.34
GRM1 Q13255 1/20 0.34
DPP4 P27487 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL20133654 0.88 MTOR (0.47) MTORRPTORMLST8NAMPTADAM17
SCHEMBL20129668 0.84 ADAM17 (0.39) MTORRPTORMLST8ALDH1A1ADAM17
SCHEMBL22693220 0.82 MTOR (0.46) MTORRPTORMLST8ADAM17GRM5
SCHEMBL20129664 0.81 ALDH1A1 (0.39) MTORRPTORMLST8ALDH1A1ADAM17
SCHEMBL22693221 0.80 MTOR (0.45) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL20149780 0.80 MTOR (0.48) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20157190 0.79 GRM1 (0.47) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20149693 0.79 MTOR (0.63) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20129674 0.78 MTOR (0.51) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20149795 0.77 MTOR (0.47) MTORRPTORMLST8ALDH1A1NAMPT

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed