SCHEMBL649776

SCHEMBL649776

CCCCn1c(-c2ccccc2)nc(C=Cc2ccccc2)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.52
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
TP53 P04637 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL649775 1.00 C5AR1 (0.52) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL649723 0.93 C5AR1 (0.52) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL649722 0.93 C5AR1 (0.52) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648435 0.92 C5AR1 (0.60) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648436 0.92 C5AR1 (0.60) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL5634496 0.90 C5AR1 (0.49) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL1912834 0.90 C5AR1 (0.49) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL1913058 0.88 C5AR1 (0.56) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648344 0.88 C5AR1 (0.63) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL1913026 0.88 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 5 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
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