SCHEMBL649258

SCHEMBL649258

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cccc(OCC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
BCHE P06276 5/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 3/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TNK2 Q07912 1/20 0.36
PDE4B Q07343 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CACNA2D1 P54289 1/20 0.36

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
SCHEMBL650569 0.96 C5AR1 (0.44) C5AR1BCHEMAPTTSHRHPGD
SCHEMBL649417 0.96 C5AR1 (0.43) C5AR1BCHEMAPTTSHRPPARG
SCHEMBL650505 0.95 C5AR1 (0.43) C5AR1BCHEMAPTTSHRPPARG
SCHEMBL652044 0.95 C5AR1 (0.43) C5AR1BCHEMAPTTSHRPPARG
SCHEMBL1914664 0.95 C5AR1 (0.43) C5AR1BCHEMAPTTSHRPPARG
SCHEMBL648091 0.94 C5AR1 (0.44) C5AR1BCHEMAPTTSHRPPARG
SCHEMBL651401 0.94 C5AR1 (0.42) C5AR1BCHEMAPTPPARGPPARA
SCHEMBL649083 0.94 C5AR1 (0.42) C5AR1BCHEMAPTTSHRKDM4E
SCHEMBL648177 0.94 C5AR1 (0.42) C5AR1BCHEMAPTTSHRPPARG
SCHEMBL650373 0.94 TP53 (0.41) C5AR1BCHEMAPTTSHRPPARG

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