SCHEMBL3666455

SCHEMBL3666455

COC(=O)C1(Br)CCCC1O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL4053821 0.94 MAPT (0.41) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL7442635 0.74 MEN1 (0.47) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL9583315 0.73 NPSR1 (0.37) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL28186423 0.70 NPSR1 (0.35) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL18629017 0.69 MEN1 (0.46) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL9583882 0.67 MAPT (0.44) NPSR1MAPTMEN1POLBKMT2A
SCHEMBL4225099 0.67 MAPT (0.40) NPSR1MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL691739 0.66
SCHEMBL1606853 0.66 NPSR1 (0.50) NPSR1MAPTMEN1KMT2ACYP4F2
SCHEMBL1709532 0.65 CYP3A4 (0.45) NPSR1MAPTMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
EP-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 WO disclosed