SCHEMBL20149926

SCHEMBL20149926

Cc1cc(C)c(C(=O)N2CCN(C(C)C)C(CO)C2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.70
RPTOR Q8N122 8/20 0.70
MLST8 Q9BVC4 8/20 0.70
MC4R P32245 1/20 0.39
DPP4 P27487 1/20 0.37
DRD4 P21917 4/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35
MLNR O43193 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
SCHEMBL20133642 1.00 MTOR (0.70) MTORRPTORMLST8MC4RDPP4
SCHEMBL20133656 1.00 MTOR (0.70) MTORRPTORMLST8MC4RDPP4
SCHEMBL21360321 0.90 MTOR (0.80) MTORRPTORMLST8DPP4DRD4
SCHEMBL21360288 0.90 MTOR (0.80) MTORRPTORMLST8DPP4DRD4
SCHEMBL22693123 0.89 MTOR (0.58) MTORRPTORMLST8
SCHEMBL20133553 0.88 MTOR (0.77) MTORRPTORMLST8DPP4DRD4
SCHEMBL20133690 0.88 MTOR (0.77) MTORRPTORMLST8DPP4DRD4
SCHEMBL20150230 0.88 MTOR (0.77) MTORRPTORMLST8DPP4DRD4
SCHEMBL21360294 0.87 MTOR (0.76) MTORRPTORMLST8DPP4DRD4
SCHEMBL21360389 0.87 MTOR (0.76) MTORRPTORMLST8DPP4DRD4

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