SCHEMBL1400000

SCHEMBL1400000

[CH](CN1CCCCC1)CN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4676098 0.83 HRH3 (0.36) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10378784 0.83 CARM1 (0.37) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4042388 0.81 HRH3 (0.42) HRH3MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23872301 0.80 HRH3 (0.43) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10748748 0.80 HRH3 (0.43) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7227482 0.80 HRH3 (0.43) HRH3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10756863 0.79
SCHEMBL21629978 0.79
SCHEMBL7225776 0.77 HRH3 (0.54) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL23872300 0.76 LTA4H (0.42) HRH3CHRNB2CHRNB4CHRNA3CHRNA4

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-1831174-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2011-03-02 EP disclosed
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed