SCHEMBL649644

SCHEMBL649644

CCCCN(Cc1cc(C)c(OC(C)=O)c(C)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
HDAC1 Q13547 1/20 0.39
CRHR1 P34998 2/20 0.37
TSHR P16473 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
FAAH O00519 2/20 0.34
CYP3A4 P08684 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
SCHEMBL648990 0.94 C5AR1 (0.43) C5AR1HDAC1CRHR1TSHRPPARG
SCHEMBL651010 0.90 C5AR1 (0.45) C5AR1HDAC1CRHR1TSHRPPARG
SCHEMBL650679 0.88 C5AR1 (0.43) C5AR1HDAC1CRHR1TSHRATP4A
SCHEMBL4774335 0.86 C5AR1 (0.44) C5AR1HDAC1CRHR1TSHRATP4A
SCHEMBL649779 0.86 C5AR1 (0.40) C5AR1HDAC1CRHR1TSHRPPARG
SCHEMBL649952 0.85 C5AR1 (0.41) C5AR1HDAC1CRHR1TSHRATP4A
SCHEMBL648358 0.83 C5AR1 (0.45) C5AR1TSHRPPARGPPARAKDM4E
SCHEMBL5136142 0.83 C5AR1 (0.42) C5AR1HDAC1CRHR1TSHRATP4A
SCHEMBL649161 0.83 C5AR1 (0.47) C5AR1CRHR1TSHRATP4AATP4B
SCHEMBL650270 0.83 C5AR1 (0.43) C5AR1HDAC1CRHR1TSHRPPARG

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