SCHEMBL20142829

SCHEMBL20142829

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3)[C@H](CO)C2)c(C)c1NC1CCN(C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.56
RPTOR Q8N122 5/20 0.56
MLST8 Q9BVC4 5/20 0.56
SPR P35270 1/20 0.38
RORC P51449 1/20 0.35
CCR5 P51681 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM5A P29375 6/20 0.35
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL20140999 0.91 MTOR (0.54) MTORRPTORMLST8SPRRORC
SCHEMBL20141406 0.88 MTOR (0.51) MTORRPTORMLST8NPSR1USP2
SCHEMBL20141279 0.86 MTOR (0.67) MTORRPTORMLST8ALDH1A1
SCHEMBL21360408 0.86 MTOR (0.67) MTORRPTORMLST8ALDH1A1
SCHEMBL21360419 0.86 MTOR (0.50) MTORRPTORMLST8SPRRORC
SCHEMBL21360334 0.85 MTOR (0.77) MTORRPTORMLST8
SCHEMBL20142791 0.85 MTOR (0.61) MTORRPTORMLST8KDM5AALDH1A1
SCHEMBL21360354 0.84 MTOR (0.77) MTORRPTORMLST8CCNKCCNA2
SCHEMBL22693247 0.84 MTOR (0.59) MTORRPTORMLST8
SCHEMBL22693124 0.80 MTOR (0.72) MTORRPTORMLST8KDM5AALDH1A1

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