SCHEMBL651911

SCHEMBL651911

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
TSHR P16473 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL648551 0.95 C5AR1 (0.50) C5AR1SMN1; SMN2LMNAL3MBTL1PTGS1
SCHEMBL5135876 0.92 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1PTGS1
SCHEMBL649661 0.91 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL1913036 0.89 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1PTGS1
SCHEMBL652179 0.89 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1PTGS1
SCHEMBL1912840 0.88 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL649913 0.87 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL649080 0.87 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1TAS2R14
SCHEMBL1912835 0.87 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648474 0.87 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR

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