SCHEMBL6520800

SCHEMBL6520800

CCCCc1cnc(-c2c(CC)cccc2CC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
PPARA Q07869 1/20 0.42
ELANE P08246 2/20 0.40
CTSG P08311 1/20 0.40
C5AR1 P21730 6/20 0.39
PDE10A Q9Y233 1/20 0.38
APLNR P35414 1/20 0.37
NOS1 P29475 1/20 0.37

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
SCHEMBL6522043 0.95 PPARA (0.49) ALOX5PTGS2PPARAELANE
SCHEMBL6523352 0.86 C5AR1 (0.38) ALOX5PTGS2PPARAC5AR1
SCHEMBL6522026 0.86 S1PR1 (0.41) ALOX5PTGS2PPARAC5AR1
SCHEMBL1328280 0.85 FFAR1 (0.41) PDE10A
SCHEMBL1327003 0.83 C5AR1 (0.48) C5AR1
SCHEMBL6518976 0.83 GABRA1 (0.40) C5AR1
SCHEMBL1328874 0.82 BCHE (0.48)
SCHEMBL1330224 0.81 ABCB1 (0.44) C5AR1
SCHEMBL1328043 0.79 FFAR1 (0.42) C5AR1
SCHEMBL6522088 0.79 NPSR1 (0.36) PTGS2ELANEC5AR1

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