SCHEMBL649549

SCHEMBL649549

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
BCHE P06276 5/20 0.40
TSHR P16473 3/20 0.39
C5AR1 P21730 1/20 0.39
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PDE4B Q07343 2/20 0.36
TLR7 Q9NYK1 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
SCHEMBL650050 0.91 MAPT (0.39) MAPTBCHETSHRC5AR1PPARG
SCHEMBL648452 0.90 C5AR1 (0.55) MAPTTSHRC5AR1PPARGPPARA
SCHEMBL650062 0.90 C5AR1 (0.49) MAPTC5AR1PPARGPPARAALDH1A1
SCHEMBL651129 0.89 MAPT (0.42) MAPTBCHETSHRC5AR1PPARG
SCHEMBL649258 0.89 C5AR1 (0.45) MAPTBCHETSHRC5AR1PPARG
SCHEMBL649417 0.89 C5AR1 (0.43) MAPTBCHETSHRC5AR1PPARG
SCHEMBL650569 0.87 C5AR1 (0.44) MAPTBCHETSHRC5AR1HPGD
SCHEMBL650505 0.86 C5AR1 (0.43) MAPTBCHETSHRC5AR1PPARG
SCHEMBL650373 0.86 TP53 (0.41) MAPTBCHETSHRC5AR1PPARG
SCHEMBL650406 0.86 CRHR1 (0.41) MAPTBCHETSHRC5AR1PPARG

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