SCHEMBL649152

SCHEMBL649152

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc2c(c1)CCO2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
KCNH2 Q12809 3/20 0.36
CHRM5 P08912 4/20 0.34
CHRM1 P11229 4/20 0.34
CXCR3 P49682 4/20 0.33
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM2 P08172 1/20 0.33
GNRHR P30968 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
SCHEMBL5136874 0.91 C5AR1 (0.54) C5AR1KCNH2CHRM5CHRM1CXCR3
SCHEMBL1912946 0.89 C5AR1 (0.62) C5AR1GNRHR
SCHEMBL1915326 0.88 C5AR1 (0.51) C5AR1KCNH2CHRM5CHRM1CXCR3
SCHEMBL653131 0.88 C5AR1 (0.59) C5AR1KCNH2CHRM5CHRM1CXCR3
SCHEMBL651033 0.87 C5AR1 (0.44) C5AR1
SCHEMBL5134570 0.87 C5AR1 (0.54) C5AR1KCNH2CHRM5CHRM1CXCR3
SCHEMBL651956 0.86 C5AR1 (0.43) C5AR1
SCHEMBL1913012 0.86 C5AR1 (0.50) C5AR1KCNH2CHRM5CHRM1CHRM4
SCHEMBL648190 0.86 C5AR1 (0.65) C5AR1KCNH2GNRHR
SCHEMBL649217 0.86 C5AR1 (0.59) C5AR1GNRHR

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