SCHEMBL1913014

SCHEMBL1913014

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
HDAC1 Q13547 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR7 Q9NYK1 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
FAAH O00519 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL650854 0.93 C5AR1 (0.39) C5AR1MEN1KMT2AAGTR1AGTR2
SCHEMBL648900 0.92 C5AR1 (0.42) C5AR1MEN1KMT2AAGTR1AGTR2
SCHEMBL1913027 0.91 CRHR1 (0.41) C5AR1MEN1KMT2AAGTR1AGTR2
SCHEMBL649871 0.90 C5AR1 (0.42) C5AR1HDAC1TLR7FAAHPPARG
SCHEMBL649655 0.88 C5AR1 (0.47) C5AR1MEN1KMT2ALMNAPOLB
SCHEMBL651438 0.88 C5AR1 (0.40) C5AR1MEN1KMT2AAGTR1AGTR2
SCHEMBL650811 0.88 C5AR1 (0.58) C5AR1MEN1KMT2ALMNATDP1
SCHEMBL652234 0.87 AGTR1 (0.46) C5AR1MEN1KMT2AAGTR1AGTR2
SCHEMBL648771 0.87 C5AR1 (0.45) C5AR1MEN1KMT2AHDAC1L3MBTL1
SCHEMBL5135950 0.86 LPAR1 (0.42) C5AR1AGTR1HDAC1L3MBTL1TLR7

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