SCHEMBL648541

SCHEMBL648541

CCCCn1c(CN(Cc2cccc(OCC)c2)Cc2cccc(OCC)c2)cnc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.42
TSHR P16473 4/20 0.41
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
C5AR1 P21730 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
HSD11B1 P28845 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL5137333 0.99 BCHE (0.44) BCHETSHRMAPTHPGDSMN1; SMN2
SCHEMBL5072212 0.93 BCHE (0.49) BCHETSHRPPARGPPARAHSD11B1
SCHEMBL5135801 0.91 PPARG (0.45) BCHETSHRMAPTHPGDC5AR1
SCHEMBL5135378 0.91 CALM1 (0.45) BCHETSHRMAPTTLR7
SCHEMBL650063 0.90 BCHE (0.38) BCHETSHRMAPTC5AR1PPARG
SCHEMBL648765 0.90 C5AR1 (0.47) BCHESMN1; SMN2C5AR1
SCHEMBL651265 0.90 C5AR1 (0.53) TSHRMAPTSMN1; SMN2C5AR1PPARG
SCHEMBL14415595 0.90 HPGD (0.44) BCHETSHRMAPTHPGDSMN1; SMN2
SCHEMBL5072278 0.87 TSHR (0.51) BCHETSHRHPGDSMN1; SMN2HSD17B10
SCHEMBL5137098 0.86 TSHR (0.44) TSHRMAPTC5AR1HSD11B1

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