SCHEMBL649790

SCHEMBL649790

CCCCn1c(-c2ccccc2)nc(-c2ccc(OCC)cc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.65
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
GNRHR P30968 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL651949 0.98 C5AR1 (0.65) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL649030 0.96 C5AR1 (0.60) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL648344 0.94 C5AR1 (0.63) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL650543 0.93 C5AR1 (0.57) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL1913063 0.93 C5AR1 (0.61) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL651150 0.93 C5AR1 (0.61) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL649725 0.93 C5AR1 (0.58) C5AR1SMN1; SMN2LMNATP53MAPT
SCHEMBL4767016 0.92 C5AR1 (0.75) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL649256 0.92 C5AR1 (0.59) C5AR1PPARGPPARASMN1; SMN2LMNA
SCHEMBL27620790 0.92 C5AR1 (0.59) 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