SCHEMBL651163

SCHEMBL651163

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(C(N)=O)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
PTGDR2 Q9Y5Y4 4/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEP1B Q16820 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL651214 0.94 C5AR1 (0.50) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL1913082 0.93 C5AR1 (0.49) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL649762 0.91 C5AR1 (0.47) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL652376 0.89 C5AR1 (0.58) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL649080 0.89 C5AR1 (0.56) C5AR1LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL648949 0.89 PTGDR2 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648636 0.89 C5AR1 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL1913084 0.88 C5AR1 (0.51) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL651035 0.88 C5AR1 (0.54) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19
SCHEMBL648139 0.88 C5AR1 (0.54) C5AR1PTGDR2CYP2C8CYP2C9CYP2C19

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