SCHEMBL854811

SCHEMBL854811

CCCCOC(=O)CC(CCCN)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HTR2C P28335 1/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
NAAA Q02083 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SLC6A2 P23975 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
SCHEMBL4405147 0.79 L3MBTL1 (0.50) MAPTL3MBTL1MAPK1NPSR1KMT2A
SCHEMBL4408415 0.79 L3MBTL1 (0.50) MAPTL3MBTL1MAPK1NPSR1KMT2A
SCHEMBL25670058 0.75 MAPT (0.53) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL25670071 0.74 MAPT (0.52) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL9621838 0.74 MAPT (0.54) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL8741872 0.73 MAPT (0.60) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL8468455 0.73 L3MBTL1 (0.47) MAPTL3MBTL1MAPK1NPSR1KMT2A
SCHEMBL10388546 0.73 MAPT (0.41) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL25670064 0.73 MAPT (0.50) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2
SCHEMBL25670072 0.72 MAPT (0.49) MAPTL3MBTL1MAPK1NPSR1SMN1; SMN2

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-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed