SCHEMBL20142261

SCHEMBL20142261

COc1cc(C)c(NC2CCN(c3ccccc3C#N)CC2)cc1C(=O)C(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.51
RPTOR Q8N122 7/20 0.51
MLST8 Q9BVC4 7/20 0.51
THRB P10828 1/20 0.39
EHMT2 Q96KQ7 3/20 0.37
NPY2R P49146 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
P2RY12 Q9H244 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
PDE5A O76074 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL20133713 0.89 MTOR (0.55) MTORRPTORMLST8THRBEHMT2
SCHEMBL20142258 0.85 MTOR (0.47) MTORRPTORMLST8THRBEHMT2
SCHEMBL20133694 0.84 MTOR (0.54) MTORRPTORMLST8THRBEHMT2
SCHEMBL20133693 0.82 MTOR (0.54) MTORRPTORMLST8THRBEHMT2
SCHEMBL20129666 0.80 MTOR (0.62) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20129637 0.80 MTOR (0.64) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20133704 0.78 MTOR (0.60) MTORRPTORMLST8THRBALDH1A1
SCHEMBL20129693 0.78 MTOR (0.61) MTORRPTORMLST8ALDH1A1LMNA
SCHEMBL20129691 0.77 MTOR (0.63) MTORRPTORMLST8ALDH1A1LMNA
SCHEMBL20133739 0.76 MTOR (0.78) MTORRPTORMLST8ALDH1A1LMNA

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