SCHEMBL647665

SCHEMBL647665

CCCCN(Cc1ccc(OCC)cc1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.46
ATP4B P51164 5/20 0.46
C5AR1 P21730 1/20 0.44
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
CACNA2D1 P54289 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5073977 0.97 ATP4A (0.46) ATP4AATP4BC5AR1DRD2DRD3
SCHEMBL5134715 0.96 C5AR1 (0.44) ATP4AATP4BC5AR1DRD2DRD3
SCHEMBL5137336 0.96 ATP4A (0.46) ATP4AATP4BC5AR1DRD2DRD3
SCHEMBL5136633 0.95 ATP4A (0.45) ATP4AATP4BC5AR1DRD2DRD3
SCHEMBL5134960 0.95 ATP4A (0.52) ATP4AATP4BDRD2DRD3HRH3
SCHEMBL5135885 0.95 MAPT (0.45) ATP4AATP4BC5AR1DRD2DRD3
SCHEMBL649713 0.94 C5AR1 (0.45) ATP4AATP4BC5AR1DRD2DRD3
SCHEMBL5137431 0.93 ATP4A (0.50) ATP4AATP4BDRD2DRD3HRH3
SCHEMBL5072324 0.93 C5AR1 (0.44) ATP4AATP4BC5AR1DRD2DRD3
SCHEMBL5135000 0.93 ATP4A (0.47) ATP4AATP4BDRD2DRD3CACNA2D1

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