SCHEMBL20141483

SCHEMBL20141483

Cc1cc(C)c(N(c2c(F)cc(F)cc2C#N)C2CCNCC2)cc1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 1/20 0.32
MTOR P42345 1/20 0.31
RPTOR Q8N122 1/20 0.31
MLST8 Q9BVC4 1/20 0.31
NOS3 P29474 3/20 0.31
NOS1 P29475 3/20 0.31
NOS2 P35228 3/20 0.31
NOTUM Q6P988 1/20 0.30
KDM1A O60341 1/20 0.30
MAP3K5 Q99683 1/20 0.30
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL20141101 0.90 CHEK1 (0.36) TP53THRBMTORRPTORMLST8
SCHEMBL20141405 0.87 NOTUM (0.38) SLC6A2SLC6A4SLC6A3MTORRPTOR
SCHEMBL20140898 0.80 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL20141281 0.77 MTOR (0.35) SLC6A2SLC6A4SLC6A3MTORRPTOR
SCHEMBL20141180 0.77 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL20141353 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL20141195 0.77 MTOR (0.51) TP53MTORRPTORMLST8
SCHEMBL20141074 0.75 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3NOS2NOTUM
SCHEMBL20141214 0.74 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS3NOS1
SCHEMBL20141216 0.74 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS3NOS1

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