SCHEMBL20141049

SCHEMBL20141049

COC(=O)c1cc(N(c2cccc(C#N)c2)C2CCNCC2)c(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CHEK1 O14757 3/20 0.35
CHEK2 O96017 2/20 0.35
HTR6 P50406 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM5 P41594 1/20 0.33
MAPK14 Q16539 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DVL1 O14640 1/20 0.33
DVL3 Q92997 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CCR3 P51677 1/20 0.32

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
SCHEMBL20141074 0.89 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR6KCNH2
SCHEMBL20141215 0.86 HTR2C (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL20141029 0.83 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CHEK1CHEK2
SCHEMBL20141281 0.81 MTOR (0.35) SLC6A2SLC6A4SLC6A3CHEK1CHEK2
SCHEMBL20141613 0.80 SLC6A2 (0.38) SLC6A2SLC6A4KCNH2ALDH1A1
SCHEMBL20141036 0.78 KCNH2 (0.37) SLC6A2SLC6A4SLC6A3CHEK1KCNH2
SCHEMBL20141038 0.78 KCNH2 (0.37) SLC6A2SLC6A4SLC6A3CHEK1KCNH2
SCHEMBL20141147 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CHEK1CHEK2
SCHEMBL20140944 0.77 OPRM1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL20141101 0.76 CHEK1 (0.36) CHEK1CHEK2KCNH2ALDH1A1

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