SCHEMBL649655

SCHEMBL649655

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCC1 P33527 1/20 0.39
TSHR P16473 1/20 0.39
SMPD1 P17405 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL5070097 0.97 TP53 (0.48) C5AR1SMN1; SMN2TP53GAAL3MBTL1
SCHEMBL5136877 0.95 C5AR1 (0.43) C5AR1SMN1; SMN2TP53GAAL3MBTL1
SCHEMBL648191 0.94 C5AR1 (0.46) C5AR1SMN1; SMN2TP53GAAALDH1A1
SCHEMBL651343 0.93 C5AR1 (0.47) C5AR1SMN1; SMN2TP53GAAL3MBTL1
SCHEMBL5134880 0.93 MEN1 (0.43) C5AR1SMN1; SMN2TP53GAAL3MBTL1
SCHEMBL5137523 0.93 MEN1 (0.47) C5AR1SMN1; SMN2TP53GAAL3MBTL1
SCHEMBL5134637 0.92 C5AR1 (0.45) C5AR1SMN1; SMN2TP53GAAMEN1
SCHEMBL649485 0.92 C5AR1 (0.45) C5AR1SMN1; SMN2TP53GAAALDH1A1
SCHEMBL1912916 0.92 C5AR1 (0.47) C5AR1SMN1; SMN2TP53GAAALDH1A1
SCHEMBL652664 0.92 C5AR1 (0.45) C5AR1SMN1; SMN2TP53GAAL3MBTL1

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