SCHEMBL5884797

SCHEMBL5884797

C=CCON=Cc1ccc(OCCC2CCCN(c3ccc(Cl)nn3)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CYP1A2 P05177 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PANK3 Q9H999 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BPTF Q12830 1/20 0.31
HPGD P15428 2/20 0.31
BTK Q06187 1/20 0.31
AXL P30530 1/20 0.31
IDH1 O75874 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL5884927 0.96 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884868 0.91 KCNH2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884903 0.91 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884258 0.89 LMNA (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5883978 0.88 KMT2A (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884760 0.87 KCNH2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884860 0.85 NR1I2 (0.36) L3MBTL1HPGDBTKIDH1MAP4K4
SCHEMBL5884712 0.85 LMNA (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL5884551 0.83 HRH3 (0.33) HPGDIDH1
SCHEMBL5884463 0.82 CYP1A2 (0.37) 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