SCHEMBL649522

SCHEMBL649522

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1ccc2c(c1)CCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.48
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KCNH2 Q12809 2/20 0.37
CNR2 P34972 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM5 P08912 5/20 0.34
CHRM1 P11229 5/20 0.34
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
LDHA P00338 1/20 0.33
CHRM2 P08172 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 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
SCHEMBL5136874 0.91 C5AR1 (0.54) C5AR1KCNH2TSHRCHRM5CHRM1
SCHEMBL5135876 0.88 C5AR1 (0.63) C5AR1PTGS1PTGS2LMNATSHR
SCHEMBL1915326 0.88 C5AR1 (0.51) C5AR1KCNH2TSHRCHRM5CHRM1
SCHEMBL653131 0.88 C5AR1 (0.59) C5AR1KCNH2LMNATSHRSMN1; SMN2
SCHEMBL5134570 0.87 C5AR1 (0.54) C5AR1KCNH2TSHRCHRM5CHRM1
SCHEMBL648190 0.87 C5AR1 (0.65) C5AR1KCNH2LMNATSHRSMN1; SMN2
SCHEMBL1913012 0.85 C5AR1 (0.50) C5AR1KCNH2CHRM5CHRM1CHRM4
SCHEMBL649410 0.85 C5AR1 (0.47) C5AR1PTGS1PTGS2USP2LMNA
SCHEMBL649152 0.84 C5AR1 (0.47) C5AR1KCNH2CHRM5CHRM1CHRM4
SCHEMBL648184 0.84 C5AR1 (0.49) C5AR1KCNH2

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