SCHEMBL6522038

SCHEMBL6522038

CCCC(Cl)CCCc1cnc(-c2c(CC)cccc2CC)cc1OCC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.33
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6522088 0.83 NPSR1 (0.36) C5AR1MAPTNPSR1L3MBTL1
SCHEMBL1327582 0.81 NPSR1 (0.36) C5AR1MAPTNPSR1L3MBTL1
SCHEMBL6518505 0.80 C5AR1 (0.37) C5AR1MAPTNPSR1L3MBTL1
SCHEMBL1328717 0.79 C5AR1 (0.37) C5AR1MAPTNPSR1L3MBTL1
SCHEMBL1328707 0.78 NPSR1 (0.38) C5AR1MAPTNPSR1L3MBTL1
SCHEMBL6515324 0.77 MAPT (0.41) MAPTNPSR1L3MBTL1
SCHEMBL6520800 0.76 ALOX5 (0.43) C5AR1
SCHEMBL1328160 0.76 C5AR1 (0.41) C5AR1MAPTNPSR1L3MBTL1
SCHEMBL6522026 0.75 S1PR1 (0.41) C5AR1
SCHEMBL6522043 0.74 PPARA (0.49)

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