SCHEMBL6182944

SCHEMBL6182944

OCCOc1cccnc1OCCC1CCCN1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
MKNK1 Q9BUB5 2/20 0.39
SSTR2 P30874 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CHEK1 O14757 1/20 0.38

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
SCHEMBL6181243 0.75 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4MKNK1
SCHEMBL11466924 0.75 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4MKNK1
SCHEMBL11467927 0.75 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4MKNK1
SCHEMBL3123997 0.75 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14334241 0.75 LTA4H (0.47) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3117931 0.75 IKBKB (0.47) CHRNB4CHRNA3CHRNB2CHRNA4PIM1
SCHEMBL29007824 0.74 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5585295 0.73 KDM4E (0.52) CHRNB2CHRNA4
SCHEMBL11456174 0.72 CHRNB4 (0.74) CHRNB4CHRNA3CHRNB2CHRNA4PIM1
SCHEMBL11459124 0.72 SLC6A2 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4PIM1

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-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 WO disclosed