SCHEMBL650213

SCHEMBL650213

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OC(=O)CC(C)C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
PPARG P37231 3/20 0.36
TSHR P16473 3/20 0.35
FAAH O00519 2/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
HDAC1 Q13547 1/20 0.33
AGTR1 P30556 1/20 0.33
CRHR1 P34998 1/20 0.33
CNR2 P34972 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 1/20 0.33
ALOX15 P16050 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
SCHEMBL650367 0.94 C5AR1 (0.41) C5AR1PPARGTSHRFAAHPPARA
SCHEMBL648358 0.90 C5AR1 (0.45) C5AR1PPARGTSHRPPARAKDM4E
SCHEMBL651011 0.85 C5AR1 (0.47) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL651010 0.84 C5AR1 (0.45) C5AR1PPARGTSHRPPARAKDM4E
SCHEMBL648891 0.84 C5AR1 (0.44) C5AR1PPARGTSHRPPARAKDM4E
SCHEMBL648508 0.82 C5AR1 (0.50) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL648990 0.81 C5AR1 (0.43) C5AR1PPARGTSHRPPARAKDM4E
SCHEMBL1915545 0.81 C5AR1 (0.42) C5AR1PPARGTSHRPPARAKDM4E
SCHEMBL651343 0.81 C5AR1 (0.47) C5AR1TSHRALDH1A1LMNATP53
SCHEMBL651367 0.81 C5AR1 (0.45) C5AR1TSHRKDM4ELMNATP53

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