SCHEMBL20149922

SCHEMBL20149922

C=C(c1cc(NC2CCN(c3ccccc3C#N)CC2)c(C)cc1C)N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.56
RPTOR Q8N122 8/20 0.56
MLST8 Q9BVC4 8/20 0.56
PHGDH O43175 1/20 0.39
GRM5 P41594 1/20 0.35
DRD4 P21917 4/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
ADRB1 P08588 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.34
NAMPT P43490 1/20 0.33
AXL P30530 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2A P28223 1/20 0.33
THPO P40225 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
SCHEMBL20150031 0.89 MTOR (0.70) MTORRPTORMLST8NAMPT
SCHEMBL20149927 0.85 MTOR (0.56) MTORRPTORMLST8ALDH1A1
SCHEMBL20133739 0.82 MTOR (0.78) MTORRPTORMLST8PHGDHGRM5
SCHEMBL20129637 0.81 MTOR (0.64) MTORRPTORMLST8PHGDHGRM5
SCHEMBL20129666 0.80 MTOR (0.62) MTORRPTORMLST8GRM5DRD4
SCHEMBL20133681 0.80 MTOR (0.65) MTORRPTORMLST8GRM5DRD4
SCHEMBL20133541 0.80 MTOR (0.64) MTORRPTORMLST8DRD4DRD2
SCHEMBL20133555 0.80 MTOR (0.64) MTORRPTORMLST8DRD4DRD2
SCHEMBL20150218 0.79 MTOR (0.74) MTORRPTORMLST8GRM5DRD4
SCHEMBL20149875 0.79 MTOR (0.56) MTORRPTORMLST8PHGDHGRM5

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