SCHEMBL648771

SCHEMBL648771

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
NOX1 Q9Y5S8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.36
HDAC1 Q13547 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
SCHEMBL5070033 0.95 C5AR1 (0.41) C5AR1GAAKDM4ESIRT2MEN1
SCHEMBL652183 0.94 C5AR1 (0.45) C5AR1GAAKDM4ESIRT2TSHR
SCHEMBL5136086 0.93 C5AR1 (0.41) C5AR1GAAKDM4ESIRT2MEN1
SCHEMBL652664 0.93 C5AR1 (0.45) C5AR1GAAKDM4EMEN1KMT2A
SCHEMBL649655 0.92 C5AR1 (0.47) C5AR1GAAMEN1KMT2ATSHR
SCHEMBL5072402 0.90 MAPT (0.43) C5AR1KDM4ESIRT2MEN1KMT2A
SCHEMBL5070097 0.89 TP53 (0.48) C5AR1GAAKDM4EMEN1KMT2A
SCHEMBL648191 0.89 C5AR1 (0.46) C5AR1GAAKDM4EMEN1KMT2A
SCHEMBL649712 0.89 C5AR1 (0.49) C5AR1KDM4ETSHRBCHEHDAC1
SCHEMBL5134767 0.89 MAPT (0.40) C5AR1GAAKDM4ESIRT2MEN1

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