SCHEMBL650373

SCHEMBL650373

CCCCn1c(-c2ccccc2)nc(-c2cccc(C)c2)c1CN(Cc1cccc(OCC)c1)Cc1cccc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
C5AR1 P21730 1/20 0.41
MAPT P10636 3/20 0.40
BCHE P06276 5/20 0.38
TSHR P16473 2/20 0.37
MDM2 Q00987 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
NTRK1 P04629 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL649417 0.95 C5AR1 (0.43) C5AR1MAPTBCHETSHRTLR7
SCHEMBL649258 0.94 C5AR1 (0.45) C5AR1MAPTBCHETSHRTLR7
SCHEMBL650505 0.93 C5AR1 (0.43) TP53C5AR1MAPTBCHETSHR
SCHEMBL1913028 0.92 TLR7 (0.43) C5AR1MAPTBCHETLR7
SCHEMBL650569 0.92 C5AR1 (0.44) C5AR1MAPTBCHETSHRTLR7
SCHEMBL650215 0.91 C5AR1 (0.38) TP53C5AR1MAPTBCHETSHR
SCHEMBL651161 0.91 MAPT (0.40) C5AR1MAPTBCHETSHRTLR7
SCHEMBL651877 0.91 CACNA2D1 (0.42) C5AR1MAPTBCHETSHRTLR7
SCHEMBL647696 0.91 C5AR1 (0.57) TP53C5AR1MAPTTSHRLMNA
SCHEMBL648414 0.90 TLR7 (0.45) C5AR1MAPTBCHETLR7LMNA

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