SCHEMBL20141571

SCHEMBL20141571

Cc1cc(C(=O)N2CCN(c3ncccc3S(N)(=O)=O)C[C@@H]2C)c(C)c(NC2CCN(c3ccc(F)cc3C#N)CC2)c1C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.54
RPTOR Q8N122 6/20 0.54
MLST8 Q9BVC4 6/20 0.54
NAAA Q02083 8/20 0.38
GRM1 Q13255 1/20 0.38
AVPR1A P37288 1/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
TRPV1 Q8NER1 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
SCHEMBL20141572 1.00 MTOR (0.54) MTORRPTORMLST8NAAAGRM1
SCHEMBL20133778 0.90 MTOR (0.60) MTORRPTORMLST8NAAAGRM1
SCHEMBL20149740 0.82 MTOR (0.69) MTORRPTORMLST8
SCHEMBL20133715 0.82 MTOR (0.70) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL22187986 0.81 MTOR (0.65) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL22693226 0.79 MTOR (0.83) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL20141509 0.75 MTOR (0.54) MTORRPTORMLST8TRPV1
SCHEMBL20133747 0.75 MTOR (0.72) MTORRPTORMLST8
SCHEMBL20133570 0.74 MTOR (0.61) MTORRPTORMLST8GRM1HCRTR1
SCHEMBL20142908 0.74 MTOR (0.61) MTORRPTORMLST8GRM1HCRTR1

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