SCHEMBL648305

SCHEMBL648305

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(OC)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
CASR P41180 1/20 0.36
CSF1R P07333 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHR1 P34998 1/20 0.35
PDE4B Q07343 3/20 0.34
BCHE P06276 3/20 0.34
P2RX7 Q99572 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
PPARG P37231 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL648409 0.95 C5AR1 (0.42) C5AR1CASRCSF1RCRHR1PDE4B
SCHEMBL1912977 0.94 C5AR1 (0.42) C5AR1CASRCSF1RTP53GAA
SCHEMBL650460 0.91 C5AR1 (0.40) C5AR1CASRGAACRHR1BCHE
SCHEMBL648891 0.91 C5AR1 (0.44) C5AR1CASRCRHR1PDE4BBCHE
SCHEMBL5135971 0.91 C5AR1 (0.41) C5AR1TP53GAASMN1; SMN2PDE4B
SCHEMBL651011 0.91 C5AR1 (0.47) C5AR1CASRTP53GAASMN1; SMN2
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1GAAPDE4BTSHRALDH1A1
SCHEMBL1913032 0.90 C5AR1 (0.41) C5AR1TP53GAASMN1; SMN2PDE4B
SCHEMBL651956 0.90 C5AR1 (0.43) C5AR1GAASMN1; SMN2BCHETSHR
SCHEMBL1913005 0.89 C5AR1 (0.42) C5AR1CSF1RCRHR1BCHETSHR

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