SCHEMBL649253

SCHEMBL649253

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(N)=O)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 1/20 0.38
CRHR1 P34998 3/20 0.37
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
NR1H4 Q96RI1 1/20 0.37
MDM2 Q00987 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
NR1H3 Q13133 2/20 0.36
MAPT P10636 1/20 0.36
C5AR1 P21730 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
SLC2A1 P11166 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL1913045 0.94 SMN1; SMN2 (0.41) CRHR1PPARGPPARANR1H4MDM2
SCHEMBL651093 0.92 CRHR1 (0.37) SQLECRHR1PPARGPPARAMDM2
SCHEMBL648054 0.92 NR1H2 (0.39) CRHR1PPARGPPARANR1H4MDM2
SCHEMBL651801 0.91 CRHR1 (0.42) CRHR1PPARGPPARAMAPTC5AR1
SCHEMBL650406 0.91 CRHR1 (0.41) CRHR1PPARGPPARAMAPTC5AR1
SCHEMBL651143 0.91 CRHR1 (0.37) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651072 0.89 GPR52 (0.43) CRHR1NR1H4JAK2JAK1TYK2
SCHEMBL649884 0.88 CA1 (0.41) CRHR1MAPT
SCHEMBL647849 0.86 CRHR1 (0.38) CRHR1PPARGPPARANR1H4MDM2
SCHEMBL649162 0.86 CRHR1 (0.46) CRHR1PPARGPPARAJAK2JAK1

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
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