SCHEMBL650339

SCHEMBL650339

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cc(C)c(OC(F)F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
TSHR P16473 4/20 0.37
CRHR1 P34998 5/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
PDE4B Q07343 2/20 0.33
NR1H3 Q13133 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 2/20 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
SCHEMBL651014 0.95 C5AR1 (0.41) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL1915451 0.94 C5AR1 (0.41) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL649952 0.94 C5AR1 (0.41) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL649007 0.92 C5AR1 (0.39) C5AR1TSHRCRHR1MEN1KMT2A
SCHEMBL649537 0.90 C5AR1 (0.38) C5AR1TSHRALDH1A1HSD17B10MEN1
SCHEMBL650460 0.90 C5AR1 (0.40) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL648891 0.89 C5AR1 (0.44) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL647724 0.89 C5AR1 (0.44) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL652195 0.88 C5AR1 (0.60) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL651956 0.88 C5AR1 (0.43) C5AR1TSHRKDM4EALDH1A1HPGD

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