SCHEMBL6443265

SCHEMBL6443265

CN(C)c1ccc(C(Br)C=O)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A3 P47895 2/20 0.36
ALDH3A1 P30838 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APP P05067 1/20 0.33
CRHR1 P34998 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL27570242 0.83 MAPT (0.48) MAPTALDH1A1KDM4EL3MBTL1ALDH1A3
SCHEMBL27643656 0.79 MAPT (0.45) MAPTALDH1A1KDM4EL3MBTL1ALDH1A3
SCHEMBL7072973 0.77
SCHEMBL16346007 0.77 S1PR1 (0.39) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL17813143 0.76 MAPT (0.50) MAPTCRHR1
SCHEMBL30616847 0.74 MAPT (0.49) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL3159375 0.74 MAPT (0.49) MAPTALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL2302859 0.73 CHRNA1 (0.34) MAPTALDH1A1TSHRKMT2A
SCHEMBL6865041 0.73 VCP (0.38)
SCHEMBL26968200 0.73 S1PR1 (0.33) ALDH1A1

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-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed