SCHEMBL648592

SCHEMBL648592

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OCC)c(OCC)c1)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
PPARG P37231 3/20 0.34
DRD1 P21728 4/20 0.34
DRD4 P21917 4/20 0.34
DRD3 P35462 4/20 0.34
KDM4E B2RXH2 3/20 0.34
DRD2 P14416 2/20 0.34
DRD5 P21918 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL648140 0.91 C5AR1 (0.44) C5AR1DRD1DRD4DRD3DRD2
SCHEMBL5136024 0.90 C5AR1 (0.41) C5AR1KDM4EPOLBKMT2ALMNA
SCHEMBL5136497 0.90 C5AR1 (0.41) C5AR1KDM4EKMT2AMAPK1ALDH1A1
SCHEMBL647827 0.89 C5AR1 (0.41) C5AR1PPARGDRD3KDM4EDRD2
SCHEMBL648532 0.89 C5AR1 (0.41) C5AR1PPARGKDM4EKMT2APDE4B
SCHEMBL5136177 0.88 C5AR1 (0.39) C5AR1DRD3KDM4EDRD2POLB
SCHEMBL5137096 0.87 C5AR1 (0.42) C5AR1DRD1DRD4DRD3KDM4E
SCHEMBL5135694 0.87 C5AR1 (0.44) C5AR1DRD1DRD4DRD3KDM4E
SCHEMBL647764 0.87 C5AR1 (0.47) C5AR1KDM4EPOLBKMT2APDE4B
SCHEMBL5135713 0.87 C5AR1 (0.44) C5AR1KDM4EMAPK1ALDH1A1TSHR

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