SCHEMBL20149911

SCHEMBL20149911

Cc1cc(C)c(C(=O)N2CCN(C(C)C)CC2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.69
RPTOR Q8N122 8/20 0.69
MLST8 Q9BVC4 8/20 0.69
FASN P49327 4/20 0.43
MC4R P32245 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NAMPT P43490 1/20 0.40
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GRM5 P41594 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL20133739 0.93 MTOR (0.78) MTORRPTORMLST8NAMPTDPP4
SCHEMBL20150218 0.90 MTOR (0.74) MTORRPTORMLST8NAMPTGRM5
SCHEMBL22693146 0.89 MTOR (0.73) MTORRPTORMLST8FASNNAMPT
SCHEMBL20149902 0.88 MTOR (0.72) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL21360385 0.88 MTOR (0.72) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20150031 0.88 MTOR (0.70) MTORRPTORMLST8FASNNAMPT
SCHEMBL20133751 0.88 MTOR (0.72) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL21360383 0.86 MTOR (0.72) MTORRPTORMLST8FASNNAMPT
SCHEMBL21360388 0.86 MTOR (0.85) MTORRPTORMLST8FASNNAMPT
SCHEMBL20149868 0.86 MTOR (0.67) MTORRPTORMLST8ALDH1A1

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