SCHEMBL650008

SCHEMBL650008

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC)cc1)Cc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
GNRHR P30968 4/20 0.36
TSHR P16473 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCHE P06276 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGDR Q13258 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
PDE4B Q07343 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
SCHEMBL649922 0.93 C5AR1 (0.54) C5AR1TSHRKDM4EALDH1A1LMNA
SCHEMBL651417 0.91 C5AR1 (0.47) C5AR1TSHRALDH1A1GAALMNA
SCHEMBL5135840 0.90 C5AR1 (0.51) C5AR1TSHRKDM4EALDH1A1LMNA
SCHEMBL5134619 0.90 C5AR1 (0.54) C5AR1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL5135062 0.89 C5AR1 (0.53) C5AR1TSHRKDM4EALDH1A1BCHE
SCHEMBL649848 0.89 C5AR1 (0.53) C5AR1TSHRKDM4EALDH1A1BCHE
SCHEMBL651365 0.88 C5AR1 (0.46) C5AR1TSHRKDM4EALDH1A1GAA
SCHEMBL5135332 0.88 C5AR1 (0.59) C5AR1GNRHRKDM4EALDH1A1GAA
SCHEMBL5136938 0.88 C5AR1 (0.66) C5AR1GNRHRTSHRKDM4EALDH1A1
SCHEMBL5072205 0.87 C5AR1 (0.46) C5AR1TSHRKDM4EALDH1A1GAA

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