SCHEMBL6522128

SCHEMBL6522128

CCOCCCCc1c(CCC(C)(C)O)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL6525743 0.87 LTB4R (0.33) C5AR1
SCHEMBL1328208 0.73
SCHEMBL14252854 0.72 C5AR1 (0.33) C5AR1
SCHEMBL6523381 0.72 C5AR1 (0.41) C5AR1
SCHEMBL1327688 0.70 C5AR1 (0.40) C5AR1
SCHEMBL1329281 0.70 C5AR1 (0.40) C5AR1
SCHEMBL1327686 0.70 C5AR1 (0.40) C5AR1
SCHEMBL3816531 0.69 GAA (0.40)
SCHEMBL1327995 0.66 C5AR1 (0.40) C5AR1
SCHEMBL1328263 0.65 C5AR1 (0.41) C5AR1

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-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO disclosed