SCHEMBL20141254

SCHEMBL20141254

Cc1cc(C)c(N(c2ccccc2OC(F)(F)F)C2CCNCC2)cc1C(=O)N1CCN(c2ccccn2)[C@H](CO)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.53
RPTOR Q8N122 3/20 0.53
MLST8 Q9BVC4 3/20 0.53
HCRTR1 O43613 10/20 0.40
HCRTR2 O43614 10/20 0.40
PROKR1 Q8TCW9 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM5A P29375 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CACNA1B Q00975 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
SCHEMBL20141156 0.91 MTOR (0.44) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20140938 0.90 MTOR (0.63) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20140850 0.83 MTOR (0.53) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20133648 0.77 MTOR (0.82) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20141346 0.76 SLC6A2 (0.44) SLC6A2SLC6A4
SCHEMBL20140900 0.75 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL20140969 0.72 MTOR (0.43) MTORRPTORMLST8SLC6A2SLC6A4
SCHEMBL21340109 0.72 MTOR (0.72) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL21340108 0.72 MTOR (0.72) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20141225 0.72 MTOR (0.41) MTORRPTORMLST8ALDH1A1

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