SCHEMBL648175

SCHEMBL648175

CCCCn1c(-c2ccccc2)nc(-c2ccc(F)cc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
MMP13 P45452 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
MMP1 P03956 1/20 0.35
PPARA Q07869 6/20 0.35
PPARG P37231 5/20 0.35
PLK1 P53350 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
PLK2 Q9NYY3 1/20 0.34
BCHE P06276 3/20 0.34
SCN9A Q15858 1/20 0.34
NR3C1 P04150 1/20 0.34
CACNA2D1 P54289 1/20 0.33
TNK2 Q07912 1/20 0.33
PPARD Q03181 2/20 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
SCHEMBL649888 0.96 C5AR1 (0.40) C5AR1MAPTALDH1A1HTTPPARA
SCHEMBL650072 0.96 C5AR1 (0.41) C5AR1MAPTALDH1A1HTTPPARA
SCHEMBL652368 0.95 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTPPARA
SCHEMBL652475 0.94 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTBCHE
SCHEMBL650506 0.94 C5AR1 (0.37) C5AR1MMP13MAPTALDH1A1HTT
SCHEMBL649822 0.94 C5AR1 (0.39) C5AR1MAPTALDH1A1HTTPPARA
SCHEMBL648391 0.93 C5AR1 (0.38) C5AR1MAPTALDH1A1HTTPPARA
SCHEMBL650750 0.93 MAPT (0.36) C5AR1MMP13MAPTALDH1A1HTT
SCHEMBL648177 0.92 C5AR1 (0.42) C5AR1MMP13MAPTMMP1PPARA
SCHEMBL650215 0.92 C5AR1 (0.38) C5AR1MAPTALDH1A1HTTPPARA

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