SCHEMBL20141160

SCHEMBL20141160

Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)[C@@H](C)C2)cc1NC1C[CH]NCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.51
RPTOR Q8N122 3/20 0.51
MLST8 Q9BVC4 3/20 0.51
GRM1 Q13255 2/20 0.44
AVPR1A P37288 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
SLC6A7 Q99884 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMO Q99835 1/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.35
KDM5A P29375 1/20 0.35
ATM Q13315 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
SCHEMBL20133545 0.79 MTOR (0.68) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL20141354 0.79 MTOR (0.68) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL20133655 0.79 MTOR (0.68) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL22693157 0.76 MTOR (0.49) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL21360293 0.70 MTOR (0.81) MTORRPTORMLST8ALDH1A1
SCHEMBL22693153 0.70 MTOR (0.81) MTORRPTORMLST8ALDH1A1
SCHEMBL20141042 0.70 MTOR (0.81) MTORRPTORMLST8ALDH1A1
SCHEMBL21340104 0.69 MTOR (0.58) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL22693238 0.69 MTOR (0.56) MTORRPTORMLST8GRM1AVPR1A
SCHEMBL20140855 0.68 GRM1 (0.67) GRM1AVPR1ASMN1; SMN2SLC6A7ALDH1A1

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