SCHEMBL20141245

SCHEMBL20141245

Cc1cc(C)c(N(c2ccccc2C#N)C2CCNCC2)c(C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.41
SLC6A4 P31645 7/20 0.41
NOS2 P35228 7/20 0.36
NOS3 P29474 6/20 0.34
NOS1 P29475 6/20 0.34
SLC6A3 Q01959 3/20 0.34
KDM1A O60341 1/20 0.33
PLAT P00750 2/20 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
SCHEMBL20140846 0.89 SLC6A2 (0.37) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL20141151 0.87 SLC6A2 (0.42) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL20140898 0.82 SLC6A4 (0.41) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL20141031 0.80 SLC6A4 (0.40) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL20141181 0.80 SLC6A4 (0.41) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL20140936 0.79 SLC6A2 (0.41) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL20141180 0.78 SLC6A2 (0.41) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL20141353 0.78 SLC6A2 (0.39) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL20140920 0.76 SLC6A2 (0.38) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL20141216 0.76 SLC6A2 (0.38) SLC6A2SLC6A4NOS2NOS3NOS1

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