SCHEMBL5137576

SCHEMBL5137576

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cccc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.47
C5AR1 P21730 1/20 0.43
NR3C1 P04150 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL5135893 0.95 TLR7 (0.49) TLR7C5AR1
SCHEMBL5137376 0.92 C5AR1 (0.42) TLR7C5AR1
SCHEMBL5136637 0.91 C5AR1 (0.45) C5AR1
SCHEMBL5136530 0.90 C5AR1 (0.41) TLR7C5AR1
SCHEMBL5137352 0.89 TLR7 (0.42) TLR7C5AR1
SCHEMBL5135950 0.86 LPAR1 (0.42) TLR7C5AR1
SCHEMBL5072295 0.86 C5AR1 (0.44) C5AR1
SCHEMBL5135490 0.86 SIRT2 (0.43) C5AR1
SCHEMBL5136520 0.84 C5AR1 (0.61) C5AR1LMNA
SCHEMBL648086 0.84 C5AR1 (0.55) TLR7C5AR1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed