SCHEMBL649162

SCHEMBL649162

CCCCN(Cc1ccc(C(N)=O)cc1)Cc1c(C(F)(F)F)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.46
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
C5AR1 P21730 1/20 0.37
TSHR P16473 1/20 0.36
LTA4H P09960 1/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
NR1H3 Q13133 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
SCHEMBL1913039 0.93 CRHR1 (0.47) CRHR1PPARGPPARAC5AR1TSHR
SCHEMBL649676 0.93 CRHR1 (0.41) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL4766197 0.92 JAK2 (0.42) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL648691 0.91 RORC (0.41) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL648135 0.90 CRHR1 (0.44) CRHR1PPARGPPARAAGTR1
SCHEMBL4766957 0.89 C5AR1 (0.42) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651072 0.88 GPR52 (0.43) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651157 0.88 JAK2 (0.36) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL648539 0.88 CRHR1 (0.43) CRHR1JAK2JAK1TYK2JAK3
SCHEMBL651496 0.87 JAK2 (0.42) JAK2JAK1TYK2JAK3TSHR

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