SCHEMBL651780

SCHEMBL651780

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.34
CRHR1 P34998 3/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
P2RX7 Q99572 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
KMT2A Q03164 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
SCHEMBL650048 0.93 C5AR1 (0.39) C5AR1PPARGPPARAALDH1A1HTT
SCHEMBL652540 0.92 C5AR1 (0.40) C5AR1PPARGPPARAALDH1A1HTT
SCHEMBL650071 0.91 C5AR1 (0.37) C5AR1PPARGPPARA
SCHEMBL651956 0.89 C5AR1 (0.43) C5AR1ALDH1A1HTTTSHRLMNA
SCHEMBL648222 0.88 C5AR1 (0.43) C5AR1PPARGPPARAALDH1A1HTT
SCHEMBL651033 0.88 C5AR1 (0.44) C5AR1ALDH1A1HTTTSHRLMNA
SCHEMBL648790 0.87 C5AR1 (0.43) C5AR1PPARGPPARAALDH1A1HTT
SCHEMBL650606 0.86 MAPT (0.41) C5AR1PPARGPPARAALDH1A1HTT
SCHEMBL649882 0.86 C5AR1 (0.41) C5AR1ALDH1A1HTTTSHRCRHR1
SCHEMBL5137363 0.86 C5AR1 (0.44) C5AR1TSHRCRHR1

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