SCHEMBL648532

SCHEMBL648532

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cccc(OCC)c1)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
IGF1R P08069 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.36
ALOX5 P09917 1/20 0.36
BCHE P06276 4/20 0.35
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
AVPR1B P47901 1/20 0.34
TLR7 Q9NYK1 2/20 0.34
PDE4B Q07343 1/20 0.33

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
SCHEMBL5137905 0.94 IGF1R (0.43) C5AR1ALDH1A1NPSR1HPGDIGF1R
SCHEMBL5137356 0.93 MEN1 (0.45) C5AR1ALDH1A1HIF1AMEN1KMT2A
SCHEMBL647827 0.91 C5AR1 (0.41) C5AR1ALDH1A1NPSR1HPGDMEN1
SCHEMBL5135374 0.90 C5AR1 (0.40) C5AR1MEN1KMT2A
SCHEMBL648763 0.90 C5AR1 (0.40) C5AR1ALDH1A1HPGDHTTIGF1R
SCHEMBL5137864 0.89 C5AR1 (0.44) C5AR1ALDH1A1HPGDBCHEMAPK1
SCHEMBL648592 0.89 C5AR1 (0.43) C5AR1ALDH1A1NPSR1HPGDLMNA
SCHEMBL649417 0.88 C5AR1 (0.43) C5AR1ALDH1A1NPSR1HPGDIGF1R
SCHEMBL649258 0.88 C5AR1 (0.45) C5AR1ALDH1A1HPGDMAPTBCHE
SCHEMBL650496 0.88 C5AR1 (0.40) C5AR1MEN1KMT2A

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