SCHEMBL650204

SCHEMBL650204

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.43
AGTR2 P50052 1/20 0.43
CRHR1 P34998 5/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 3/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
C5AR1 P21730 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MDM2 Q00987 2/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL653133 0.94 CRHR1 (0.41) AGTR1AGTR2CRHR1PPARGPPARA
SCHEMBL1913027 0.94 CRHR1 (0.41) AGTR1AGTR2CRHR1PPARGPPARA
SCHEMBL1913039 0.85 CRHR1 (0.47) AGTR1AGTR2CRHR1PPARGPPARA
SCHEMBL648539 0.85 CRHR1 (0.43) AGTR1CRHR1PPARGPPARAC5AR1
SCHEMBL652234 0.84 AGTR1 (0.46) AGTR1AGTR2PPARGPPARAMEN1
SCHEMBL1913014 0.84 C5AR1 (0.42) AGTR1AGTR2PPARGPPARAMEN1
SCHEMBL648900 0.84 C5AR1 (0.42) AGTR1AGTR2PPARGPPARAMEN1
SCHEMBL648135 0.84 CRHR1 (0.44) AGTR1CRHR1PPARGPPARAL3MBTL1
SCHEMBL649160 0.82 CRHR1 (0.48) CRHR1C5AR1
SCHEMBL649162 0.82 CRHR1 (0.46) AGTR1AGTR2CRHR1PPARGPPARA

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