SCHEMBL6515273

SCHEMBL6515273

COc1ccc(C=C2CCCN=C2c2cccnc2)cc1OC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.59
CHRNB4 P30926 2/20 0.59
CHRNA3 P32297 2/20 0.59
CHRNA7 P36544 2/20 0.59
CHRNA4 P43681 2/20 0.59
CHRNA1 P02708 1/20 0.59
CHRNG P07510 1/20 0.59
CHRNB1 P11230 1/20 0.59
CHRND Q07001 1/20 0.59
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
BRCA1 P38398 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
Hydrochloric Acid SCHEMBL1419282 0.99 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12363702 0.83 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12363673 0.83 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2260739 0.82 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2260737 0.82 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2260112 0.82 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2262863 0.82 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2262866 0.82 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL2260113 0.82 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12363707 0.82 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-1531820-A1 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Memory Pharmaceuticals Corporation (US) 2005-05-25 EP disclosed
WO-2004019943-A1 ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES MEMORY PHARMACEUTICALS CORPORATION (US) 2004-03-11 WO disclosed