SCHEMBL20141613

SCHEMBL20141613

COC(=O)c1cc(N(c2ccccc2OC)C2CCNCC2)c(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
CCR8 P51685 1/20 0.37
GAA P10253 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HTR2C P28335 2/20 0.37
BRPF1 P55201 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL20141738 0.90 SLC6A2 (0.40) SLC6A2SLC6A4CCR8KDM4EALDH1A1
SCHEMBL20140900 0.89 SLC6A2 (0.41) SLC6A2SLC6A4DDB1CRBN
SCHEMBL20141026 0.89 NR1I2 (0.41) SLC6A2SLC6A4CCR8HPGDDDB1
SCHEMBL20141029 0.87 SLC6A2 (0.38) SLC6A2SLC6A4GAAKDM4EALDH1A1
SCHEMBL20141215 0.81 HTR2C (0.39) SLC6A2SLC6A4HTR2COPRM1OPRD1
SCHEMBL20141036 0.81 KCNH2 (0.37) SLC6A2SLC6A4KDM4EALDH1A1HPGD
SCHEMBL20141038 0.81 KCNH2 (0.37) SLC6A2SLC6A4KDM4EALDH1A1HPGD
SCHEMBL20141147 0.81 SLC6A2 (0.38) SLC6A2SLC6A4GAAKDM4EALDH1A1
SCHEMBL20141049 0.80 SLC6A2 (0.38) SLC6A2SLC6A4ALDH1A1KCNH2
SCHEMBL20141346 0.78 SLC6A2 (0.44) SLC6A2SLC6A4KCNH2

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