SCHEMBL18653162

SCHEMBL18653162

COC(=O)N[C@H](C(=O)N1c2ccccc2CCC1C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
XIAP P98170 1/20 0.46
PDK1 Q15118 6/20 0.46
PDK2 Q15119 6/20 0.46
PDK3 Q15120 6/20 0.46
PDK4 Q16654 6/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
ACE P12821 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.43
DRD2 P14416 1/20 0.41

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
SCHEMBL15765599 0.88 NOTUM (0.53) TSHRLMNAMAPTXIAPALDH1A1
SCHEMBL10292602 0.88 NOTUM (0.53) TSHRLMNAMAPTXIAPALDH1A1
SCHEMBL3265355 0.80 XIAP (0.52) LMNAMAPTXIAPALDH1A1HTT
SCHEMBL26620279 0.80 TSHR (0.58) MEN1KMT2ATSHRPOLBGAA
SCHEMBL7814933 0.79 XIAP (0.59) XIAPACE
SCHEMBL18653164 0.78 XIAP (0.50) XIAPACEDRD2DRD4
SCHEMBL15458270 0.78 MAPT (0.72) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL18595590 0.78 MAPT (0.72) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL11341941 0.77 PDK1 (0.57) MEN1KMT2ATSHRPOLBGAA
SCHEMBL9470723 0.77 MEN1 (0.60) MEN1KMT2ATSHRLMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed