SCHEMBL20140900

SCHEMBL20140900

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
CXCR2 P25025 1/20 0.35
EPHX1 P07099 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
IDH1 O75874 5/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CFD P00746 2/20 0.34
SLC6A3 Q01959 1/20 0.33
KLK7 P49862 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL20141346 0.90 SLC6A2 (0.44) SLC6A2SLC6A4CXCR2SLC6A3PPARG
SCHEMBL20141613 0.89 SLC6A2 (0.38) SLC6A2SLC6A4DDB1CRBN
SCHEMBL20141026 0.86 NR1I2 (0.41) SLC6A2SLC6A4DDB1CRBN
SCHEMBL20141029 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL20141738 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL20141038 0.77 KCNH2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL20141036 0.77 KCNH2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL20140980 0.77 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL20141147 0.77 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL20141030 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3

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