SCHEMBL649230

SCHEMBL649230

CCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1CN(Cc1ccc(C(N)=O)c(O)c1)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.38
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.35
PDK1 Q15118 1/20 0.35
PARP1 P09874 2/20 0.35
PPARG P37231 4/20 0.35
AGTR1 P30556 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR2 P34972 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PPARA Q07869 1/20 0.33
KLK1 P06870 1/20 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
SCHEMBL650278 0.93 C5AR1 (0.40) C5AR1TSHRPDK1PARP1PPARG
SCHEMBL648253 0.93 TSHR (0.41) C5AR1TDP1TSHRPDK1PARP1
SCHEMBL651901 0.92 ALDH1A1 (0.40) KDM4ETSHRPDK1PARP1PPARG
SCHEMBL648586 0.92 C5AR1 (0.39) C5AR1TSHRPDK1PARP1PPARG
SCHEMBL651426 0.90 C5AR1 (0.38) C5AR1KDM4ETSHRPDK1PARP1
SCHEMBL648873 0.89 MC4R (0.37) C5AR1TDP1TSHRPDK1PARP1
SCHEMBL648105 0.87 C5AR1 (0.38) C5AR1TSHRPDK1PARP1ALDH1A1
SCHEMBL648963 0.87 C5AR1 (0.54) C5AR1KDM4ETDP1PPARGALDH1A1
SCHEMBL652464 0.86 C5AR1 (0.44) C5AR1TSHRPDK1PPARGAGTR1
SCHEMBL14572934 0.85 PDK1 (0.40) TDP1TSHRPDK1PARP1PPARG

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