SCHEMBL1579124

SCHEMBL1579124

NC(=O)OC1CCCN(c2c(Br)cccc2C=O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.44
▸ PIM3 Q86V86 3/20 0.44
▸ PIM2 Q9P1W9 3/20 0.44
▸ ATM Q13315 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL2425205 0.83 PIM1 (0.38) PIM1PIM3PIM2ATMKDM4E
SCHEMBL2425207 0.83 PIM1 (0.38) PIM1PIM3PIM2ATMKDM4E
SCHEMBL28232720 0.74 PIM1 (0.41) PIM1PIM3PIM2ATMKDM4E
SCHEMBL12283721 0.72 MAP4K4 (0.49) PIM1PIM3PIM2DPP4L3MBTL1
SCHEMBL2425209 0.72 MAP4K4 (0.49) PIM1PIM3PIM2DPP4L3MBTL1
SCHEMBL15880147 0.69 MEN1 (0.45) PIM2ALDH1A1KMT2AMEN1
SCHEMBL15880144 0.69 MEN1 (0.45) PIM2ALDH1A1KMT2AMEN1
SCHEMBL28777662 0.69 HRH3 (0.34) CYP3A4
SCHEMBL28777659 0.69 HRH3 (0.34) CYP3A4
SCHEMBL28544416 0.69 DGAT2 (0.42) —

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-2310010-A2 CHEMICAL COMPOUNDS 251 AstraZeneca AB (SE) 2011-04-20 — — EP disclosed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO disclosed
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