SCHEMBL3670181

SCHEMBL3670181

COC(=O)[C@]1(Br)CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 9/20 0.41
TSHR P16473 4/20 0.39
CYP3A4 P08684 5/20 0.38
MAPT P10636 3/20 0.38
CYP2C9 P11712 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL4053114 0.94 NPSR1 (0.40) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL4622471 0.93 NPSR1 (0.39) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL28255942 0.80 CYP2C19 (0.45) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL1009636 0.76 CYP2C19 (0.40) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL4554424 0.75 CYP2C19 (0.41) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL13009913 0.75 CYP2C19 (0.41) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL5352623 0.74 EED (0.42) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL10046851 0.74 EED (0.42) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL12083378 0.74 CYP2C19 (0.39) CYP2C19TSHRCYP3A4MAPTCYP2C9
SCHEMBL8980509 0.74 CYP2C19 (0.51) CYP2C19TSHRCYP3A4MAPTCYP2C9

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