SCHEMBL20141029

SCHEMBL20141029

COC(=O)c1cc(N(c2ccccc2C#N)C2CCNCC2)c(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
PLAT P00750 1/20 0.34
CHEK1 O14757 3/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.34
CHEK2 O96017 2/20 0.34
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DVL1 O14640 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
SCHEMBL20141036 0.94 KCNH2 (0.37) SLC6A2SLC6A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20141038 0.94 KCNH2 (0.37) SLC6A2SLC6A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20141147 0.94 SLC6A2 (0.38) SLC6A2SLC6A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20140933 0.91 SLC6A2 (0.36) SLC6A2SLC6A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20141030 0.91 SLC6A2 (0.38) SLC6A2SLC6A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20140898 0.89 SLC6A4 (0.41) SLC6A2SLC6A4KCNH2NOS2NOS3
SCHEMBL20141613 0.87 SLC6A2 (0.38) SLC6A2SLC6A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20141281 0.86 MTOR (0.35) SLC6A2SLC6A4ALDH1A1KDM4EHPGD
SCHEMBL20140874 0.85 EZH2 (0.35) SMN1; SMN2ALDH1A1KDM4EHPGDCRHBP
SCHEMBL20140875 0.85 EZH2 (0.35) SMN1; SMN2ALDH1A1KDM4EHPGDCRHBP

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