SCHEMBL651171

SCHEMBL651171

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(OCC)c1)C(C)c1ccc2c(c1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CASR P41180 2/20 0.34
MAPT P10636 1/20 0.33
CXCR3 P49682 2/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
TLR7 Q9NYK1 2/20 0.32
METAP2 P50579 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL650089 0.96 C5AR1 (0.37) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL648187 0.94 C5AR1 (0.46) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL5634119 0.92 C5AR1 (0.43) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL1917064 0.88 C5AR1 (0.38) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL651442 0.88 C5AR1 (0.47) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL648633 0.87 C5AR1 (0.50) C5AR1ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL1912886 0.86 C5AR1 (0.45) C5AR1ALDH1A1MAPK1CASRMAPT
SCHEMBL650212 0.84 C5AR1 (0.43) C5AR1ALDH1A1MAPK1MAPTCXCR3
SCHEMBL1913077 0.83 CXCR3 (0.33) ALDH1A1MAPK1OPRM1OPRD1MAPT
SCHEMBL648041 0.83 C5AR1 (0.42) C5AR1ALDH1A1MAPK1OPRM1OPRD1

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 9 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
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