SCHEMBL649303

SCHEMBL649303

CCCCN(Cc1ccc(C(=O)O)c(O)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
PPARA Q07869 2/20 0.40
HDAC1 Q13547 1/20 0.39
PPARG P37231 2/20 0.38
AGTR1 P30556 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
PDK1 Q15118 1/20 0.36
DHODH Q02127 1/20 0.36
FAAH O00519 1/20 0.36
BCHE P06276 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
SCHEMBL652036 0.94 C5AR1 (0.45) C5AR1PPARAPPARGAGTR1TSHR
SCHEMBL648838 0.93 C5AR1 (0.43) C5AR1PPARAHDAC1PPARGAGTR1
SCHEMBL648586 0.87 C5AR1 (0.39) C5AR1PPARAPPARGTSHRLTB4R2
SCHEMBL649712 0.87 C5AR1 (0.49) C5AR1HDAC1KDM4EALDH1A1TSHR
SCHEMBL652464 0.87 C5AR1 (0.44) C5AR1PPARGAGTR1TSHRPDK1
SCHEMBL5074064 0.86 LTA4H (0.45) C5AR1HDAC1AGTR1TSHRLTB4R2
SCHEMBL650787 0.86 C5AR1 (0.41) C5AR1HDAC1PPARGAGTR1POLB
SCHEMBL652664 0.86 C5AR1 (0.45) C5AR1HDAC1KDM4EPOLBGAA
SCHEMBL650777 0.85 C5AR1 (0.46) C5AR1HDAC1KDM4EALDH1A1TSHR
SCHEMBL650018 0.85 C5AR1 (0.46) C5AR1HDAC1KDM4EALDH1A1TSHR

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