SCHEMBL650921

SCHEMBL650921

CCCCn1c(CN(Cc2ccc(OC(F)F)cc2)Cc2cccc(OC(F)F)c2)cnc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.38
BCHE P06276 3/20 0.37
PPARA Q07869 4/20 0.37
PPARD Q03181 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
BACE1 P56817 2/20 0.36
PPARG P37231 3/20 0.36
LMNA P02545 1/20 0.35
C5AR1 P21730 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
SCHEMBL650063 0.96 BCHE (0.38) MEP1BBCHEPPARAPPARDALDH1A1
SCHEMBL14607026 0.95 TSHR (0.40) BCHEPPARAPPARDALDH1A1HTT
SCHEMBL14572829 0.94 TSHR (0.35) BCHEPPARAPPARDALDH1A1HTT
SCHEMBL651086 0.87 C5AR1 (0.52) PPARAALDH1A1TSHRPPARGLMNA
SCHEMBL5137996 0.86 TSHR (0.41) BCHEPPARAALDH1A1TSHRPPARG
SCHEMBL5137333 0.86 BCHE (0.44) BCHEPPARATSHRPPARGLMNA
SCHEMBL5135378 0.86 CALM1 (0.45) BCHEALDH1A1TSHR
SCHEMBL648541 0.85 BCHE (0.42) BCHEPPARATSHRBACE1PPARG
SCHEMBL648790 0.83 C5AR1 (0.43) MEP1BBCHEPPARAALDH1A1HTT
SCHEMBL14415595 0.83 HPGD (0.44) BCHEPPARAALDH1A1TSHRPPARG

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 7 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
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