SCHEMBL652145

SCHEMBL652145

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.38
MEP1B Q16820 1/20 0.38
CRHR1 P34998 2/20 0.36
NR1H2 P55055 1/20 0.36
AGTR1 P30556 3/20 0.36
NR1H4 Q96RI1 1/20 0.35
PTGS1 P23219 1/20 0.35
CETP P11597 1/20 0.35
C5AR1 P21730 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL650362 0.94 TLR7 (0.37) TLR7CRHR1NR1H2AGTR1PTGS1
SCHEMBL651310 0.94 NR1H4 (0.39) CRHR1AGTR1NR1H4ALDH1A1HTT
SCHEMBL651001 0.93 CRHR1 (0.38) MEP1BCRHR1C5AR1
SCHEMBL651093 0.92 CRHR1 (0.37) TLR7MEP1BCRHR1C5AR1ALDH1A1
SCHEMBL648054 0.92 NR1H2 (0.39) TLR7CRHR1NR1H2AGTR1NR1H4
SCHEMBL1913086 0.90 AGTR1 (0.41) TLR7CRHR1AGTR1C5AR1ALDH1A1
SCHEMBL5220455 0.89 AGTR1 (0.37) MEP1BCRHR1AGTR1NR1H4C5AR1
SCHEMBL652150 0.88 CRHR1 (0.38) CRHR1CETPC5AR1
SCHEMBL648626 0.87 PIN1 (0.38) CRHR1ALDH1A1HTT
SCHEMBL647849 0.87 CRHR1 (0.38) CRHR1NR1H4CETPC5AR1ALDH1A1

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