SCHEMBL20140779

SCHEMBL20140779

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)C[C@@H]2C)cc1C=C1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.42
MTOR P42345 5/20 0.41
RPTOR Q8N122 5/20 0.41
MLST8 Q9BVC4 5/20 0.41
NAAA Q02083 10/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
DRD4 P21917 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL20156844 0.88 MTOR (0.48) MTORRPTORMLST8DRD4MEN1
SCHEMBL20142672 0.86 MTOR (0.50) GRM1MTORRPTORMLST8NAAA
SCHEMBL20142669 0.86 MTOR (0.50) GRM1MTORRPTORMLST8NAAA
SCHEMBL20140280 0.84 GRM1 (0.45) GRM1MTORRPTORMLST8NAAA
SCHEMBL20142818 0.84 GRM1 (0.45) GRM1MTORRPTORMLST8NAAA
SCHEMBL20140914 0.83 MTOR (0.47) GRM1MTORRPTORMLST8DRD4
SCHEMBL20140416 0.81 GRM1 (0.43) GRM1MTORRPTORMLST8NAAA
SCHEMBL20140821 0.81 MTOR (0.45) GRM1MTORRPTORMLST8HCRTR1
SCHEMBL20140823 0.81 MTOR (0.45) GRM1MTORRPTORMLST8HCRTR1
SCHEMBL20140709 0.77 GRM1 (0.50) GRM1MTORRPTORMLST8NAAA

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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed