SCHEMBL650569

SCHEMBL650569

CCCCn1c(-c2ccccc2)nc(-c2ccc(OCC)cc2)c1CN(Cc1cccc(OCC)c1)Cc1cccc(OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
MAPT P10636 1/20 0.42
ATP4A P20648 3/20 0.40
ATP4B P51164 3/20 0.40
CACNA2D1 P54289 2/20 0.40
TNK2 Q07912 1/20 0.39
BCHE P06276 4/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
TSHR P16473 1/20 0.38
TLR7 Q9NYK1 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
SCHEMBL649258 0.96 C5AR1 (0.45) C5AR1MAPTCACNA2D1TNK2BCHE
SCHEMBL649083 0.95 C5AR1 (0.42) C5AR1MAPTCACNA2D1TNK2BCHE
SCHEMBL650505 0.95 C5AR1 (0.43) C5AR1MAPTATP4AATP4BCACNA2D1
SCHEMBL649417 0.94 C5AR1 (0.43) C5AR1MAPTCACNA2D1BCHEHPGD
SCHEMBL651401 0.94 C5AR1 (0.42) C5AR1MAPTCACNA2D1BCHEHPGD
SCHEMBL648177 0.94 C5AR1 (0.42) C5AR1MAPTCACNA2D1TNK2BCHE
SCHEMBL652044 0.93 C5AR1 (0.43) C5AR1MAPTCACNA2D1BCHETSHR
SCHEMBL648091 0.93 C5AR1 (0.44) C5AR1MAPTATP4AATP4BBCHE
SCHEMBL649888 0.92 C5AR1 (0.40) C5AR1MAPTATP4AATP4BCACNA2D1
SCHEMBL650373 0.92 TP53 (0.41) C5AR1MAPTBCHEHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US 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