SCHEMBL653383

SCHEMBL653383

CCCCn1c(-c2ccccc2)nc(-c2cccc(Cl)c2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CACNA2D1 P54289 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
BACE1 P56817 2/20 0.33
CRHR1 P34998 2/20 0.33
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL650991 0.93 TLR7 (0.38) C5AR1TLR7CACNA2D1MAPTALDH1A1
SCHEMBL648894 0.91 TP53 (0.40) C5AR1TSHRMAPTALDH1A1HTT
SCHEMBL650606 0.91 MAPT (0.41) C5AR1TSHRMAPTALDH1A1HTT
SCHEMBL650026 0.91 C5AR1 (0.54) C5AR1TLR7TSHRMAPTALDH1A1
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1TSHRMAPTALDH1A1HTT
SCHEMBL650238 0.91 C5AR1 (0.40) C5AR1TLR7TSHRALDH1A1HTT
SCHEMBL651956 0.90 C5AR1 (0.43) C5AR1TLR7TSHRMAPTALDH1A1
SCHEMBL647750 0.90 C5AR1 (0.39) C5AR1TSHRMAPTALDH1A1HTT
SCHEMBL648415 0.90 TLR7 (0.40) C5AR1TLR7CACNA2D1MAPTMEN1
SCHEMBL649882 0.89 C5AR1 (0.41) C5AR1TLR7TSHRMAPTALDH1A1

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 9 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
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