SCHEMBL649822

SCHEMBL649822

CCCCn1c(-c2ccccc2)nc(-c2cccc(OCC)c2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
BCHE P06276 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
PDE4B Q07343 3/20 0.34
TLR7 Q9NYK1 1/20 0.34
IGF1R P08069 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CACNA2D1 P54289 1/20 0.33
TSHR P16473 1/20 0.33
BACE1 P56817 1/20 0.33
MEP1B Q16820 1/20 0.33

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
SCHEMBL650072 0.98 C5AR1 (0.41) C5AR1BCHEMAPTALDH1A1HTT
SCHEMBL651651 0.98 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTPDE4B
SCHEMBL1913033 0.97 TLR7 (0.39) C5AR1BCHEMAPTPDE4BTLR7
SCHEMBL650215 0.96 C5AR1 (0.38) C5AR1BCHEMAPTALDH1A1HTT
SCHEMBL649888 0.96 C5AR1 (0.40) C5AR1BCHEMAPTALDH1A1HTT
SCHEMBL650506 0.95 C5AR1 (0.37) C5AR1BCHEMAPTALDH1A1HTT
SCHEMBL650991 0.95 TLR7 (0.38) C5AR1BCHEMAPTALDH1A1HTT
SCHEMBL652368 0.95 C5AR1 (0.39) C5AR1BCHEMAPTALDH1A1HTT
SCHEMBL650750 0.94 MAPT (0.36) C5AR1BCHEMAPTALDH1A1HTT
SCHEMBL652475 0.94 C5AR1 (0.39) C5AR1BCHEMAPTALDH1A1HTT

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