SCHEMBL20141405

SCHEMBL20141405

Cc1cc(C)c(N(c2c(F)cccc2C#N)C2CCNCC2)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
SLC6A2 P23975 9/20 0.36
SLC6A4 P31645 7/20 0.36
MTOR P42345 3/20 0.35
RPTOR Q8N122 3/20 0.35
MLST8 Q9BVC4 3/20 0.35
SLC6A3 Q01959 5/20 0.35
P2RY12 Q9H244 1/20 0.33
NOS2 P35228 3/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 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
SCHEMBL20141281 0.90 MTOR (0.35) SLC6A2SLC6A4MTORRPTORMLST8
SCHEMBL20141483 0.87 TP53 (0.32) NOTUMSLC6A2SLC6A4MTORRPTOR
SCHEMBL20140898 0.85 SLC6A4 (0.41) NOTUMSLC6A2SLC6A4SLC6A3P2RY12
SCHEMBL20141353 0.82 SLC6A2 (0.39) NOTUMSLC6A2SLC6A4SLC6A3P2RY12
SCHEMBL20141180 0.82 SLC6A2 (0.41) NOTUMSLC6A2SLC6A4SLC6A3P2RY12
SCHEMBL20141074 0.80 SLC6A2 (0.42) NOTUMSLC6A2SLC6A4SLC6A3NOS2
SCHEMBL20141597 0.80 MTOR (0.54) MTORRPTORMLST8
SCHEMBL20141216 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL20141214 0.79 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL20141181 0.79 SLC6A4 (0.41) NOTUMSLC6A2SLC6A4SLC6A3P2RY12

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