SCHEMBL20141219

SCHEMBL20141219

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(C)(=O)=NC(=O)O)CC2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.68
RPTOR Q8N122 9/20 0.68
MLST8 Q9BVC4 9/20 0.68
NAMPT P43490 1/20 0.38
EED O75530 1/20 0.36
GRM5 P41594 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A9 P48067 2/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL20129599 0.92 MTOR (0.66) MTORRPTORMLST8NAMPTEED
SCHEMBL21340087 0.90 MTOR (0.78) MTORRPTORMLST8NAMPTEED
SCHEMBL21360359 0.88 MTOR (0.71) MTORRPTORMLST8NAMPTEED
SCHEMBL20133739 0.88 MTOR (0.78) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20149902 0.85 MTOR (0.72) MTORRPTORMLST8NAMPTGRM5
SCHEMBL21360385 0.85 MTOR (0.72) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20150218 0.85 MTOR (0.74) MTORRPTORMLST8NAMPTGRM5
SCHEMBL22187972 0.85 MTOR (0.69) MTORRPTORMLST8NAMPTEED
SCHEMBL20149875 0.84 MTOR (0.56) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20133552 0.84 MTOR (0.66) MTORRPTORMLST8NAMPTGRM5

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
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed