SCHEMBL20149795

SCHEMBL20149795

C=CCN(c1cc(C(=O)N2CCN(c3ccccc3SC)CC2)c(C)cc1C)C1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.47
RPTOR Q8N122 8/20 0.47
MLST8 Q9BVC4 8/20 0.47
ALDH1A1 P00352 3/20 0.39
GRM5 P41594 1/20 0.38
PARP1 P09874 1/20 0.37
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 2/20 0.36
HTR1A P08908 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
PMP22 Q01453 1/20 0.36
TACR3 P29371 1/20 0.35
HTR7 P34969 1/20 0.35
NAMPT P43490 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL20149780 0.89 MTOR (0.48) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL20129669 0.87 MTOR (0.48) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL20129667 0.85 KDM4E (0.41) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL20129670 0.82 MTOR (0.41) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20140972 0.81 MTOR (0.56) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL22693221 0.79 MTOR (0.45) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL20149883 0.77 MTOR (0.45) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL20129674 0.77 MTOR (0.51) MTORRPTORMLST8GRM5DRD2
SCHEMBL20129636 0.76 MTOR (0.49) MTORRPTORMLST8GRM5DRD2
SCHEMBL20129662 0.76 MTOR (0.49) MTORRPTORMLST8GRM5DRD2

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