SCHEMBL650506

SCHEMBL650506

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
BCHE P06276 3/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
MMP13 P45452 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL649822 0.95 C5AR1 (0.39) C5AR1MAPTPPARGPPARABCHE
SCHEMBL650072 0.95 C5AR1 (0.41) C5AR1MAPTPPARGPPARABCHE
SCHEMBL648175 0.94 C5AR1 (0.39) C5AR1MAPTPPARGPPARABCHE
SCHEMBL650215 0.93 C5AR1 (0.38) C5AR1MAPTPPARGPPARABCHE
SCHEMBL649888 0.93 C5AR1 (0.40) C5AR1MAPTPPARGPPARABCHE
SCHEMBL651651 0.93 C5AR1 (0.39) C5AR1MAPTGRIN1GRIN2BALDH1A1
SCHEMBL650238 0.93 C5AR1 (0.40) C5AR1MEN1KMT2AGRIN1GRIN2B
SCHEMBL650750 0.93 MAPT (0.36) C5AR1MAPTMEN1KMT2APPARG
SCHEMBL1913033 0.93 TLR7 (0.39) C5AR1MAPTMEN1KMT2ABCHE
SCHEMBL651161 0.92 MAPT (0.40) C5AR1MAPTMEN1KMT2APPARG

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 5 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
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