SCHEMBL649080

SCHEMBL649080

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc(C(N)=O)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5136775 0.92 C5AR1 (0.63) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL649661 0.91 C5AR1 (0.66) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL649777 0.91 C5AR1 (0.55) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL648929 0.89 C5AR1 (0.55) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL651019 0.89 C5AR1 (0.53) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL651163 0.89 C5AR1 (0.49) C5AR1TSHRLMNASMN1; SMN2L3MBTL1
SCHEMBL648636 0.89 C5AR1 (0.51) C5AR1TSHRLMNATAS2R14HPGD
SCHEMBL1912840 0.88 C5AR1 (0.63) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL1913084 0.88 C5AR1 (0.51) C5AR1TSHRPPARGPPARASIRT2
SCHEMBL649913 0.87 C5AR1 (0.64) 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