SCHEMBL5260550

SCHEMBL5260550

Cn1c(-c2ccc(OCCCC3CCNC3)cc2OCCF)nc2cnc(Cl)cc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.35
NPY1R P25929 9/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GHSR Q92847 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MAP2K1 Q02750 1/20 0.32
AVPR1B P47901 1/20 0.32
BRD4 O60885 2/20 0.32

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
SCHEMBL2006305 0.82 HRH3 (0.49)
SCHEMBL5264808 0.81 ACP1 (0.41) ACP1NPY1RGHSRMAP2K1
SCHEMBL2008384 0.73 HRH3 (0.52)
SCHEMBL5258954 0.70 KCNH2 (0.52) ACP1ADORA3ADORA2AADORA2BADORA1
SCHEMBL4462952 0.67 HRH3 (0.60)
SCHEMBL2006331 0.66 HRH3 (0.53)
SCHEMBL4471067 0.66 HRH3 (0.65)
SCHEMBL5258160 0.66 KCNH2 (0.51) NPY1RADORA3ADORA2AADORA2BADORA1
SCHEMBL2005785 0.66 HRH3 (0.59)
SCHEMBL2001416 0.66 HRH3 (0.57)

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-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP claimed