SCHEMBL4050823

SCHEMBL4050823

COC(=O)C1(O)CCCCC1Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C19 P33261 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CCR2 P41597 1/20 0.33
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
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
SCHEMBL4225099 0.94 MAPT (0.40) MAPTNPSR1ALDH1A1L3MBTL1CYP2C19
SCHEMBL28278368 0.79 MAPT (0.45) MAPTNPSR1ALDH1A1L3MBTL1CYP2C19
SCHEMBL21670228 0.73 MAPT (0.39) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL3620446 0.73 MAPT (0.39) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL2839539 0.72 MAPT (0.38) MAPTNPSR1ALDH1A1L3MBTL1CYP2C19
SCHEMBL31612311 0.72 MAPT (0.39) MAPTNPSR1ALDH1A1L3MBTL1CYP2C19
SCHEMBL16964518 0.70
SCHEMBL4053821 0.68 MAPT (0.41) MAPTNPSR1ALDH1A1L3MBTL1CYP2C19
SCHEMBL17958 0.68 NPSR1 (0.52) MAPTNPSR1ALDH1A1L3MBTL1CYP4F2
SCHEMBL374351 0.68 NPSR1 (0.52) MAPTNPSR1ALDH1A1L3MBTL1CYP2C19

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-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