SCHEMBL20140920

SCHEMBL20140920

COC(=O)c1c(C)ccc(N(c2ccccc2C#N)C2CCNCC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP2D6 P10635 1/20 0.33
KDM5A P29375 1/20 0.32
NOS2 P35228 4/20 0.32
NOS3 P29474 3/20 0.32
NOS1 P29475 3/20 0.32
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
AR P10275 2/20 0.31

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
SCHEMBL20141151 0.89 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6NOS2
SCHEMBL20140846 0.88 SLC6A2 (0.37) SLC6A2SLC6A4HCRTR1HCRTR2SLC6A3
SCHEMBL20141147 0.83 SLC6A2 (0.38) SLC6A2SLC6A4HCRTR1HCRTR2SLC6A3
SCHEMBL20141029 0.83 SLC6A2 (0.38) SLC6A2SLC6A4HCRTR1HCRTR2SLC6A3
SCHEMBL20141030 0.81 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL20140933 0.81 SLC6A2 (0.36) SLC6A2SLC6A4HCRTR1HCRTR2SLC6A3
SCHEMBL20141036 0.77 KCNH2 (0.37) SLC6A2SLC6A4HCRTR1HCRTR2SLC6A3
SCHEMBL20141038 0.77 KCNH2 (0.37) SLC6A2SLC6A4HCRTR1HCRTR2SLC6A3
SCHEMBL20141245 0.76 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL20141342 0.75 SLC6A2 (0.36) 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