SCHEMBL649903

SCHEMBL649903

CCCCn1c(-c2ccccc2)nc(-c2ccsc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.54
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
GNRHR P30968 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1912946 0.94 C5AR1 (0.62) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL650010 0.91 C5AR1 (0.64) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL1913053 0.91 ALDH1A1 (0.39) C5AR1SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL649217 0.91 C5AR1 (0.59) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL650155 0.90 C5AR1 (0.58) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648488 0.90 C5AR1 (0.58) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648489 0.90 C5AR1 (0.56) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL650543 0.89 C5AR1 (0.57) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL652169 0.89 C5AR1 (0.55) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL651940 0.89 C5AR1 (0.57) 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 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