SCHEMBL5884903

SCHEMBL5884903

C=CCON=Cc1ccc(OCC2CCCN(c3ccc(Cl)nn3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CYP1A2 P05177 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PANK3 Q9H999 2/20 0.33
MAP4K4 O95819 1/20 0.33
BPTF Q12830 1/20 0.32
NR1I2 O75469 1/20 0.32
BTK Q06187 1/20 0.32
CHRNB1 P11230 1/20 0.31
CHRNB3 Q05901 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 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
SCHEMBL5884797 0.91 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884463 0.91 CYP1A2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884927 0.91 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884841 0.90 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884533 0.89 LMNA (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884096 0.88 CYP1A2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884929 0.87 DRD4 (0.33) DRD2DRD4MAP4K4NR1I2BTK
SCHEMBL5884868 0.82 KCNH2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884258 0.82 LMNA (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884760 0.81 KCNH2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed