SCHEMBL649782

SCHEMBL649782

CCCCN(Cc1cc(OC)cc(OC)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
TSHR P16473 5/20 0.43
MAPK1 P28482 1/20 0.43
ATP4A P20648 4/20 0.40
ATP4B P51164 4/20 0.40
CRHR1 P34998 3/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
NR1H3 Q13133 1/20 0.37
BCHE P06276 1/20 0.36
HDAC1 Q13547 1/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL5154881 0.94 C5AR1 (0.41) C5AR1TSHRMAPK1ATP4AATP4B
SCHEMBL1912975 0.93 TSHR (0.49) C5AR1TSHRMAPK1CRHR1KDM4E
SCHEMBL5135705 0.92 CALM1 (0.45) C5AR1TSHRATP4AATP4BCRHR1
SCHEMBL5137164 0.91 C5AR1 (0.44) C5AR1TSHRATP4AATP4BKDM4E
SCHEMBL5135871 0.90 ATP4A (0.44) C5AR1TSHRATP4AATP4BKDM4E
SCHEMBL5170566 0.90 CALM1 (0.43) C5AR1TSHRATP4AATP4BKDM4E
SCHEMBL5135455 0.90 TLR7 (0.40) C5AR1KDM4EALDH1A1HPGDHDAC1
SCHEMBL5134931 0.90 CALM1 (0.44) C5AR1TSHRATP4AATP4BCRHR1
SCHEMBL650679 0.89 C5AR1 (0.43) C5AR1TSHRATP4AATP4BCRHR1
SCHEMBL5074293 0.89 CALM1 (0.45) C5AR1TSHRMAPK1ATP4AATP4B

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