SCHEMBL20141281

SCHEMBL20141281

COC(=O)c1cc(N(c2c(F)cccc2C#N)C2CCNCC2)c(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.35
RPTOR Q8N122 3/20 0.35
MLST8 Q9BVC4 3/20 0.35
ALDH1A1 P00352 3/20 0.34
PLAT P00750 1/20 0.34
CHEK1 O14757 3/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
CHEK2 O96017 2/20 0.33
SLC6A3 Q01959 1/20 0.33
HPGD P15428 2/20 0.33
KDM1A O60341 2/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 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
SCHEMBL20141405 0.90 NOTUM (0.38) MTORRPTORMLST8SLC6A2SLC6A4
SCHEMBL20141101 0.88 CHEK1 (0.36) MTORRPTORMLST8ALDH1A1PLAT
SCHEMBL20141029 0.86 SLC6A2 (0.38) ALDH1A1PLATCHEK1KCNH2SLC6A2
SCHEMBL20141030 0.83 SLC6A2 (0.38) ALDH1A1CHEK1SLC6A2SLC6A4CHEK2
SCHEMBL20140933 0.83 SLC6A2 (0.36) ALDH1A1CHEK1SLC6A2SLC6A4CHEK2
SCHEMBL20141049 0.81 SLC6A2 (0.38) ALDH1A1CHEK1KCNH2SLC6A2SLC6A4
SCHEMBL20141038 0.80 KCNH2 (0.37) ALDH1A1CHEK1KCNH2SLC6A2SLC6A4
SCHEMBL20141036 0.80 KCNH2 (0.37) ALDH1A1CHEK1KCNH2SLC6A2SLC6A4
SCHEMBL20141147 0.80 SLC6A2 (0.38) ALDH1A1PLATCHEK1KCNH2SLC6A2
SCHEMBL20141342 0.79 SLC6A2 (0.36) PLATCHEK1KCNH2SLC6A2SLC6A4

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