SCHEMBL648539

SCHEMBL648539

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.43
C5AR1 P21730 1/20 0.38
MDM2 Q00987 3/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
AGTR1 P30556 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL648838 0.90 C5AR1 (0.43) CRHR1C5AR1PPARGPPARAAGTR1
SCHEMBL653133 0.90 CRHR1 (0.41) CRHR1C5AR1PPARGPPARAAGTR1
SCHEMBL649162 0.88 CRHR1 (0.46) CRHR1C5AR1PPARGPPARAAGTR1
SCHEMBL650204 0.85 AGTR1 (0.43) CRHR1C5AR1MDM2PPARGPPARA
SCHEMBL648586 0.84 C5AR1 (0.39) C5AR1PPARGPPARATSHR
SCHEMBL652464 0.84 C5AR1 (0.44) C5AR1PPARGAGTR1JAK2JAK1
SCHEMBL1913039 0.84 CRHR1 (0.47) CRHR1C5AR1MDM2PPARGPPARA
SCHEMBL1913027 0.83 CRHR1 (0.41) CRHR1C5AR1PPARGPPARAAGTR1
SCHEMBL650787 0.83 C5AR1 (0.41) C5AR1PPARGAGTR1JAK2JAK1
SCHEMBL649303 0.83 C5AR1 (0.45) C5AR1PPARGPPARAAGTR1TSHR

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