SCHEMBL1720282

SCHEMBL1720282

[CH](CCN1CCCCC1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 1/20 0.36
GFER P55789 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
LMNA P02545 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL5186716 0.82 ALDH1A1 (0.38) HRH3ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL5807819 0.77 HRH3 (0.48) HRH3ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL947690 0.77 HRH3 (0.48) HRH3ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL29956822 0.77 HRH3 (0.48) HRH3ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL5489927 0.76 HRH3 (0.52) HRH3ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL11179141 0.76 HRH3 (0.52) HRH3ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL5233749 0.74 CHRNB2 (0.41) HRH3ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL678885 0.74
SCHEMBL5466976 0.74 CHRNB2 (0.41) HRH3ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL10846103 0.73 HRH3 (0.48) HRH3ALDH1A1MAPTPOLBL3MBTL1

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
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed