SCHEMBL20141074

SCHEMBL20141074

Cc1cc(C)c(N(c2cccc(C#N)c2)C2CCNCC2)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A3 Q01959 4/20 0.42
NOTUM Q6P988 1/20 0.40
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
MAPK14 Q16539 1/20 0.35
HTT P42858 1/20 0.34
PIN1 Q13526 1/20 0.34
NOS2 P35228 1/20 0.34
CCR5 P51681 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR6 P50406 1/20 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
SCHEMBL20141049 0.89 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MAPK14KCNH2
SCHEMBL20140944 0.83 OPRM1 (0.40) SLC6A2SLC6A4SLC6A3NOTUM
SCHEMBL20140898 0.82 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3NOTUMNOS2
SCHEMBL20141405 0.80 NOTUM (0.38) SLC6A2SLC6A4SLC6A3NOTUMNOS2
Trifluoroacetic Acid SCHEMBL20141119 0.78 MTOR (0.46) CYP2D6
SCHEMBL5629597 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3NOS2KCNH2
SCHEMBL20140936 0.77 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3NOTUMNOS2
SCHEMBL20141738 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTTKCNH2
SCHEMBL20141216 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS2KCNH2
SCHEMBL20141214 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3NOS2KCNH2

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