SCHEMBL5533763

SCHEMBL5533763

CCCc1nc2c[n+]([O-])c3cc(OC4CCN(C(=O)O)CC4)ccc3c2s1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CHRM2 P08172 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
CHEK2 O96017 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
NEK2 P51955 1/20 0.33
PLK1 P53350 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
LMNA P02545 1/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 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
SCHEMBL5087216 0.90 GPR119 (0.44) BRD4HRH3CHEK2
SCHEMBL5533769 0.85 HRH3 (0.33) BRD4CHRM2HRH3CHEK2HCAR2
SCHEMBL16456577 0.78 TLR8 (0.52)
SCHEMBL5090110 0.74 CA12 (0.41) MAOAMAOB
SCHEMBL5087063 0.73 MTNR1A (0.37)
SCHEMBL5087087 0.72 GPR119 (0.43) HRH3CHEK2
SCHEMBL5146757 0.71 TLR8 (0.37)
SCHEMBL4245869 0.70 F10 (0.34) CHRM2HRH3
SCHEMBL4245872 0.70 F10 (0.34) CHRM2HRH3
SCHEMBL5545225 0.69 TLR8 (0.46)

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-1846419-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-24 EP disclosed
WO-2006086449-A2 ALKYLOXY SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 WO disclosed