SCHEMBL648737

SCHEMBL648737

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN(Cc1ccc(OC)cc1)Cc1ccc(C(N)=O)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.37
KLK1 P06870 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
PPARG P37231 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL652416 0.94 ADRA1D (0.37) TSHRHSP90AA1HSP90AB1AGTR1PPARG
SCHEMBL14572934 0.90 PDK1 (0.40) TSHRHSP90AA1HSP90AB1KLK1LTB4R2
SCHEMBL650483 0.88 AGTR1 (0.35) AGTR1AGTR2PPARG
SCHEMBL652197 0.82 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL5181418 0.82 SMPD1 (0.40) TSHRHSP90AA1ALDH1A1RXFP1L3MBTL1
SCHEMBL648253 0.81 TSHR (0.41) TSHRKLK1LTB4R2PPARGRXFP1
SCHEMBL652764 0.80 TRPA1 (0.38) TSHRALDH1A1RXFP1L3MBTL1
SCHEMBL648120 0.79 SMPD1 (0.38) ALDH1A1RXFP1L3MBTL1
SCHEMBL650278 0.79 C5AR1 (0.40) TSHRLTB4R2AGTR1PPARGL3MBTL1
SCHEMBL648586 0.78 C5AR1 (0.39) TSHRLTB4R2PPARGRXFP1

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 11 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-8119319-B2 Method for producing positive charging toner BROTHER KOGYO KABUSHIKI KAISHA (JP) 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-1186638-B1 Use of a printing ink, printing method and printed packaging material TOYO SEIKAN KAISHA LTD (JP) 2006-06-07 EP 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
EP-1186638-A1 Printing ink, printing method and printed packaging material TOYO SEIKAN KAISHA LIMITED (JP) 2002-03-13 EP disclosed