SCHEMBL648699

SCHEMBL648699

CCCCn1c(-c2ccccc2)nc(C(=O)OC(C)C)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.57
TSHR P16473 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MEP1B Q16820 1/20 0.37

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
SCHEMBL650920 0.91 C5AR1 (0.59) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL650350 0.91 C5AR1 (0.59) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL650114 0.89 C5AR1 (0.63) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL648214 0.88 C5AR1 (0.62) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL648143 0.87 C5AR1 (0.60) C5AR1TSHRPPARGPPARASIRT2
Dimethylamine SCHEMBL653060 0.87 C5AR1 (0.60) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL648432 0.84 C5AR1 (0.61) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL648164 0.84 C5AR1 (0.57) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL1913049 0.84 C5AR1 (0.67) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL649661 0.83 C5AR1 (0.66) C5AR1TSHRPPARGPPARASIRT2

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