SCHEMBL5137906

SCHEMBL5137906

CCCCn1c(-c2ccccc2)nc(C=CC(=O)O)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.58
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
GAA P10253 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PAX8 Q06710 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
TTR P02766 1/20 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
SCHEMBL5137896 1.00 C5AR1 (0.58) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648161 0.92 C5AR1 (0.55) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL1913046 0.91 C5AR1 (0.60) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL651404 0.91 C5AR1 (0.60) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL651405 0.91 C5AR1 (0.60) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648435 0.89 C5AR1 (0.60) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648436 0.89 C5AR1 (0.60) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL651050 0.89 C5AR1 (0.62) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL650557 0.87 C5AR1 (0.62) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648165 0.87 C5AR1 (0.56) C5AR1PPARGPPARASMN1; SMN2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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