SCHEMBL20141385

SCHEMBL20141385

N#Cc1ccccc1N(c1cc(C(=O)O)c(Cl)cc1Cl)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.42
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
NOS1 P29475 8/20 0.38
NOS3 P29474 7/20 0.38
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL20141181 0.84 SLC6A4 (0.41) NOS2SLC6A2SLC6A4NOS1NOS3
SCHEMBL20140898 0.84 SLC6A4 (0.41) NOS2SLC6A2SLC6A4NOS1NOS3
SCHEMBL20141180 0.81 SLC6A2 (0.41) NOS2SLC6A2SLC6A4NOS1NOS3
SCHEMBL20141353 0.81 SLC6A2 (0.39) NOS2SLC6A2SLC6A4NOS1NOS3
SCHEMBL20140936 0.79 SLC6A2 (0.41) NOS2SLC6A2SLC6A4NOS1NOS3
SCHEMBL20141214 0.78 SLC6A2 (0.38) NOS2SLC6A2SLC6A4NOS1NOS3
SCHEMBL20141216 0.78 SLC6A2 (0.38) NOS2SLC6A2SLC6A4NOS1NOS3
SCHEMBL20141302 0.77 SLC6A2 (0.39) NOS2SLC6A2SLC6A4NOS1NOS3
SCHEMBL20141151 0.76 SLC6A2 (0.42) NOS2SLC6A2SLC6A4NOS1NOS3
SCHEMBL20141029 0.75 SLC6A2 (0.38) NOS2SLC6A2SLC6A4NOS1NOS3

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