SCHEMBL20141403

SCHEMBL20141403

Cc1cc(F)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1N(c1ccccc1C#N)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.43
RPTOR Q8N122 5/20 0.43
MLST8 Q9BVC4 5/20 0.43
PARP1 P09874 1/20 0.37
RORC P51449 1/20 0.37
SLC6A9 P48067 7/20 0.36
DPP4 P27487 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HTR6 P50406 1/20 0.35
KCNH2 Q12809 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
SCHEMBL20141317 0.94 MTOR (0.46) MTORRPTORMLST8PARP1RORC
SCHEMBL20140814 0.90 MTOR (0.45) MTORRPTORMLST8PARP1RORC
SCHEMBL20141741 0.90 MTOR (0.42) MTORRPTORMLST8SLC6A9LMNA
SCHEMBL20141263 0.89 MTOR (0.46) MTORRPTORMLST8PARP1RORC
SCHEMBL20141228 0.89 MTOR (0.45) MTORRPTORMLST8PARP1RORC
SCHEMBL20141169 0.88 MTOR (0.45) MTORRPTORMLST8PARP1RORC
SCHEMBL20140851 0.87 MTOR (0.44) MTORRPTORMLST8PARP1RORC
SCHEMBL20140990 0.86 MTOR (0.39) MTORRPTORMLST8PARP1RORC
SCHEMBL20141024 0.86 MTOR (0.46) MTORRPTORMLST8PARP1LMNA
SCHEMBL20140929 0.83 MTOR (0.57) MTORRPTORMLST8PARP1LMNA

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