SCHEMBL5137352

SCHEMBL5137352

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(C(=O)OC)c1)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.42
AVPR1B P47901 1/20 0.40
C5AR1 P21730 1/20 0.39

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
SCHEMBL5135255 0.92 C5AR1 (0.41) TLR7AVPR1BC5AR1
SCHEMBL5137576 0.89 TLR7 (0.47) TLR7C5AR1
SCHEMBL651438 0.87 C5AR1 (0.40) TLR7AVPR1BC5AR1
SCHEMBL5135893 0.87 TLR7 (0.49) TLR7C5AR1
SCHEMBL5137356 0.87 MEN1 (0.45) TLR7C5AR1
SCHEMBL5137864 0.86 C5AR1 (0.44) C5AR1
SCHEMBL5137681 0.85 PTGES (0.44) C5AR1
SCHEMBL648532 0.84 C5AR1 (0.41) TLR7AVPR1BC5AR1
SCHEMBL647832 0.84 AGTR1 (0.41) TLR7C5AR1
SCHEMBL5135374 0.84 C5AR1 (0.40) 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 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