SCHEMBL6620159

SCHEMBL6620159

CCCCN(CCc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)Cc1ccc(C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
TLR7 Q9NYK1 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 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
SCHEMBL6639448 0.95 C5AR1 (0.42) C5AR1JAK2JAK1TYK2JAK3
SCHEMBL4766957 0.93 C5AR1 (0.42) C5AR1JAK2JAK1TYK2JAK3
SCHEMBL4766671 0.89 C5AR1 (0.44) C5AR1JAK2JAK1TYK2JAK3
SCHEMBL651496 0.85 JAK2 (0.42) JAK2JAK1TYK2JAK3TLR7
SCHEMBL5074064 0.85 LTA4H (0.45) C5AR1TSHR
SCHEMBL650270 0.84 C5AR1 (0.43) C5AR1TSHRPPARGPPARA
SCHEMBL649162 0.84 CRHR1 (0.46) C5AR1JAK2JAK1TYK2JAK3
SCHEMBL1912845 0.84 ACKR3 (0.40) C5AR1JAK2JAK1TYK2JAK3
SCHEMBL5135765 0.83 MEN1 (0.41) C5AR1JAK2JAK1TYK2JAK3
SCHEMBL4766197 0.83 JAK2 (0.42) C5AR1JAK2JAK1TYK2JAK3

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-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed