SCHEMBL647827

SCHEMBL647827

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OCC)cc1)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CACNA2D1 P54289 5/20 0.36
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
TSHR P16473 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5137594 0.96 C5AR1 (0.42) C5AR1DRD2DRD3ATP4AATP4B
SCHEMBL5135090 0.94 DRD2 (0.41) C5AR1DRD2DRD3ATP4AATP4B
SCHEMBL5134916 0.93 BCHE (0.40) C5AR1ALDH1A1MEN1HSP90AA1MAPK1
SCHEMBL5136267 0.93 DRD2 (0.40) C5AR1DRD2DRD3ATP4AATP4B
SCHEMBL5137557 0.92 C5AR1 (0.42) C5AR1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL5136823 0.92 C5AR1 (0.42) C5AR1ALDH1A1DRD2DRD3TSHR
SCHEMBL5135713 0.91 C5AR1 (0.44) C5AR1ALDH1A1MAPK1TSHRHPGD
SCHEMBL5137864 0.91 C5AR1 (0.44) C5AR1ALDH1A1MAPK1TSHRHPGD
SCHEMBL5135299 0.91 DRD2 (0.42) C5AR1ALDH1A1DRD2DRD3ATP4A
SCHEMBL5136734 0.91 LTB4R2 (0.40) C5AR1DRD2DRD3PPARGPPARA

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