SCHEMBL5048005

SCHEMBL5048005

[CH2]c1ccc(N2CCN(C3CCOCC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GRIN2B Q13224 1/20 0.46
KMT2A Q03164 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HSD11B1 P28845 1/20 0.43
MEN1 O00255 2/20 0.42
MBTD1 Q05BQ5 1/20 0.42
AOC3 Q16853 1/20 0.42
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL17642582 0.83 AKR1C3 (0.51) L3MBTL3L3MBTL1GRIN2BKMT2AHRH3
SCHEMBL12082440 0.83 AKR1C3 (0.51) L3MBTL3L3MBTL1GRIN2BKMT2AHRH3
SCHEMBL16195572 0.83 MAPT (0.50) L3MBTL3L3MBTL1GRIN2BKMT2AHRH3
SCHEMBL17660589 0.79 L3MBTL1 (0.48) L3MBTL3L3MBTL1GRIN2BKMT2AMEN1
SCHEMBL16440176 0.79 HSD11B1 (0.51) L3MBTL3L3MBTL1GRIN2BKMT2AHRH3
SCHEMBL664774 0.77 LMNA (0.58) KMT2AMEN1ALDH1A1
SCHEMBL16195539 0.76 KMT2A (0.72) KMT2AMEN1ALDH1A1
SCHEMBL95920 0.75 L3MBTL3 (0.62) L3MBTL3L3MBTL1HRH3MBTD1ALDH1A1
SCHEMBL4334818 0.75 GRIN2B (0.57) L3MBTL3L3MBTL1GRIN2BMBTD1ALDH1A1
SCHEMBL23160621 0.74 AOC3 (0.55) L3MBTL3L3MBTL1GRIN2BMBTD1AOC3

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-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO disclosed