SCHEMBL651496

SCHEMBL651496

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
AGTR1 P30556 2/20 0.39
AGTR2 P50052 2/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
TSHR P16473 1/20 0.39
LTA4H P09960 1/20 0.38
F2 P00734 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38

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
SCHEMBL4766957 0.91 C5AR1 (0.42) JAK2JAK1TYK2JAK3AGTR1
SCHEMBL4766197 0.88 JAK2 (0.42) JAK2JAK1TYK2JAK3AGTR1
SCHEMBL4769369 0.88 TSHR (0.47) TLR7TSHR
SCHEMBL649162 0.87 CRHR1 (0.46) JAK2JAK1TYK2JAK3AGTR1
SCHEMBL6620159 0.85 C5AR1 (0.41) JAK2JAK1TYK2JAK3TLR8
SCHEMBL1912845 0.85 ACKR3 (0.40) JAK2JAK1TYK2JAK3AGTR1
SCHEMBL1913069 0.85 CA2 (0.43) TSHR
SCHEMBL649080 0.85 C5AR1 (0.56) TSHR
SCHEMBL4766671 0.85 C5AR1 (0.44) JAK2JAK1TYK2JAK3TLR8
SCHEMBL6639448 0.84 C5AR1 (0.42) JAK2JAK1TYK2JAK3AGTR1

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