SCHEMBL648900

SCHEMBL648900

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1H3 Q13133 1/20 0.37
HDAC1 Q13547 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL651825 0.93 C5AR1 (0.39) C5AR1L3MBTL1MEN1KMT2AAGTR1
SCHEMBL1913014 0.92 C5AR1 (0.42) C5AR1L3MBTL1MEN1KMT2AAGTR1
SCHEMBL653133 0.91 CRHR1 (0.41) C5AR1L3MBTL1MEN1KMT2AAGTR1
SCHEMBL648694 0.90 C5AR1 (0.39) C5AR1NR1H3TP53MAPTPPARG
SCHEMBL649655 0.90 C5AR1 (0.47) C5AR1L3MBTL1MEN1KMT2ALMNA
SCHEMBL648838 0.89 C5AR1 (0.43) C5AR1AGTR1HDAC1PPARGPPARA
SCHEMBL648586 0.88 C5AR1 (0.39) C5AR1MAPTPPARGPPARA
SCHEMBL651109 0.88 C5AR1 (0.58) C5AR1L3MBTL1LMNAPPARGPPARA
SCHEMBL652234 0.87 AGTR1 (0.46) C5AR1L3MBTL1MEN1KMT2AAGTR1
SCHEMBL648771 0.87 C5AR1 (0.45) C5AR1L3MBTL1MEN1KMT2AHDAC1

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