SCHEMBL20140938

SCHEMBL20140938

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.63
RPTOR Q8N122 3/20 0.63
MLST8 Q9BVC4 3/20 0.63
HCRTR2 O43614 10/20 0.40
HCRTR1 O43613 9/20 0.40
PROKR1 Q8TCW9 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20140850 0.91 MTOR (0.53) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20141254 0.90 MTOR (0.53) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20141156 0.82 MTOR (0.44) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20133584 0.77 MTOR (1.00) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20140980 0.76 SLC6A2 (0.36)
SCHEMBL20141026 0.75 NR1I2 (0.41) MTORRPTORMLST8
SCHEMBL20140969 0.72 MTOR (0.43) MTORRPTORMLST8
SCHEMBL22159430 0.71 MTOR (0.86) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL22159431 0.71 MTOR (0.86) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20141225 0.70 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