SCHEMBL651129

SCHEMBL651129

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(OCC)c1)Cc1cccc(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
BCHE P06276 5/20 0.41
TLR7 Q9NYK1 4/20 0.40
TSHR P16473 2/20 0.40
C5AR1 P21730 1/20 0.40
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4B Q07343 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
SCHEMBL650627 0.95 BCHE (0.43) MAPTBCHETLR7TSHRC5AR1
SCHEMBL648961 0.91 TLR7 (0.36) MAPTBCHETLR7TSHRC5AR1
SCHEMBL1913026 0.90 C5AR1 (0.56) TSHRC5AR1PPARGPPARA
SCHEMBL648633 0.90 C5AR1 (0.50) MAPTTLR7C5AR1PPARGPPARA
SCHEMBL649258 0.89 C5AR1 (0.45) MAPTBCHETLR7TSHRC5AR1
SCHEMBL649417 0.89 C5AR1 (0.43) MAPTBCHETLR7TSHRC5AR1
SCHEMBL649549 0.89 MAPT (0.45) MAPTBCHETLR7TSHRC5AR1
SCHEMBL651401 0.89 C5AR1 (0.42) MAPTBCHETLR7C5AR1PPARG
SCHEMBL651877 0.89 CACNA2D1 (0.42) MAPTBCHETLR7TSHRC5AR1
SCHEMBL650569 0.88 C5AR1 (0.44) MAPTBCHETLR7TSHRC5AR1

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