SCHEMBL651010

SCHEMBL651010

CCCCN(Cc1ccc(OC(C)=O)c(C)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
HDAC1 Q13547 1/20 0.38
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CRHR1 P34998 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCHE P06276 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL648358 0.94 C5AR1 (0.45) C5AR1PPARGPPARAKDM4EALDH1A1
SCHEMBL650367 0.90 C5AR1 (0.41) C5AR1HDAC1PPARGPPARACRHR1
SCHEMBL649644 0.90 C5AR1 (0.42) C5AR1HDAC1PPARGPPARACRHR1
SCHEMBL648191 0.89 C5AR1 (0.46) C5AR1CRHR1KDM4EALDH1A1HPGD
SCHEMBL5137288 0.86 C5AR1 (0.43) C5AR1CRHR1KDM4EALDH1A1HPGD
SCHEMBL649513 0.85 C5AR1 (0.43) C5AR1HDAC1CRHR1KDM4EALDH1A1
SCHEMBL5137551 0.85 C5AR1 (0.42) C5AR1HDAC1CRHR1KDM4EALDH1A1
SCHEMBL649712 0.85 C5AR1 (0.49) C5AR1HDAC1CRHR1KDM4EALDH1A1
SCHEMBL5137661 0.85 C5AR1 (0.43) C5AR1CRHR1KDM4EALDH1A1HPGD
SCHEMBL650213 0.84 C5AR1 (0.41) C5AR1HDAC1PPARGPPARACRHR1

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