SCHEMBL20139899

SCHEMBL20139899

COC(=O)CNCc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)c(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.48
RPTOR Q8N122 6/20 0.48
MLST8 Q9BVC4 6/20 0.48
THRB P10828 1/20 0.44
NAMPT P43490 1/20 0.43
DRD4 P21917 4/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 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
SCHEMBL20140695 0.82 MTOR (0.51) MTORRPTORMLST8THRBNAMPT
SCHEMBL20140200 0.81 MTOR (0.59) MTORRPTORMLST8THRBNAMPT
SCHEMBL20140798 0.80 MTOR (0.57) MTORRPTORMLST8THRBNAMPT
SCHEMBL20156802 0.80 MTOR (0.57) MTORRPTORMLST8THRBNAMPT
SCHEMBL20140753 0.80 MTOR (0.52) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20141464 0.80 MTOR (0.56) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20140027 0.79 MTOR (0.44) MTORRPTORMLST8THRBNAMPT
SCHEMBL20141553 0.79 DRD2 (0.57) MTORRPTORMLST8THRBDRD4
SCHEMBL20156918 0.78 MTOR (0.55) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20139962 0.78 MTOR (0.55) MTORRPTORMLST8NAMPTDRD4

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