SCHEMBL20140969

SCHEMBL20140969

Cc1cc(C)c(N(c2ccccc2C#N)C2CCNCC2)cc1C(=O)N1CCN(C(=O)O)[C@H](CO)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.43
RPTOR Q8N122 3/20 0.43
MLST8 Q9BVC4 3/20 0.43
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
FASN P49327 13/20 0.34
KDM1A O60341 2/20 0.33
MGLL Q99685 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
SCHEMBL20141225 0.90 MTOR (0.41) MTORRPTORMLST8
SCHEMBL20140898 0.81 SLC6A4 (0.41) SLC6A2SLC6A4
SCHEMBL20141054 0.77 MTOR (0.48) MTORRPTORMLST8
SCHEMBL20141029 0.77 SLC6A2 (0.38) SLC6A2SLC6A4
SCHEMBL20141353 0.77 SLC6A2 (0.39) SLC6A2SLC6A4KDM1A
SCHEMBL20141091 0.76 MTOR (0.45) MTORRPTORMLST8FASN
SCHEMBL20141216 0.76 SLC6A2 (0.38) SLC6A2SLC6A4
SCHEMBL20141214 0.76 SLC6A2 (0.38) SLC6A2SLC6A4
SCHEMBL20141181 0.75 SLC6A4 (0.41) SLC6A2SLC6A4
SCHEMBL20141263 0.75 MTOR (0.46) MTORRPTORMLST8

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