SCHEMBL653133

SCHEMBL653133

CCCCN(Cc1ccc(C(N)=O)c(OC)c1)Cc1c(C(F)(F)F)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
C5AR1 P21730 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR1H3 Q13133 1/20 0.36
TP53 P04637 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MAPT P10636 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL650204 0.94 AGTR1 (0.43) CRHR1L3MBTL1AGTR1AGTR2C5AR1
SCHEMBL1913027 0.92 CRHR1 (0.41) CRHR1L3MBTL1AGTR1AGTR2C5AR1
SCHEMBL648900 0.91 C5AR1 (0.42) L3MBTL1AGTR1AGTR2C5AR1MEN1
SCHEMBL648539 0.90 CRHR1 (0.43) CRHR1AGTR1C5AR1PPARGPPARA
SCHEMBL649162 0.85 CRHR1 (0.46) CRHR1AGTR1AGTR2C5AR1NR1H3
SCHEMBL651825 0.84 C5AR1 (0.39) L3MBTL1AGTR1AGTR2C5AR1MEN1
SCHEMBL1913014 0.83 C5AR1 (0.42) L3MBTL1AGTR1AGTR2C5AR1MEN1
SCHEMBL648135 0.82 CRHR1 (0.44) CRHR1L3MBTL1AGTR1PPARGPPARA
SCHEMBL1913039 0.82 CRHR1 (0.47) CRHR1AGTR1AGTR2C5AR1PPARG
SCHEMBL648694 0.81 C5AR1 (0.39) C5AR1NR1H3TP53PPARGPPARA

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