SCHEMBL650696

SCHEMBL650696

CCOc1cccc(CN(Cc2ccc3c(c2)OCO3)Cc2c(-c3ccccc3)nc(-c3ccccc3)n2C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 3/20 0.40
POLB P06746 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1913078 0.95 C5AR1 (0.45) C5AR1SMN1; SMN2TDP1PPARGPPARA
SCHEMBL651182 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2TDP1PPARGPPARA
SCHEMBL648344 0.89 C5AR1 (0.63) C5AR1SMN1; SMN2TDP1PPARGPPARA
SCHEMBL650391 0.89 C5AR1 (0.59) C5AR1SMN1; SMN2TDP1PPARGPPARA
SCHEMBL649030 0.87 C5AR1 (0.60) C5AR1SMN1; SMN2PPARGPPARATSHR
SCHEMBL649243 0.87 C5AR1 (0.60) C5AR1SMN1; SMN2TDP1PPARGPPARA
SCHEMBL649256 0.87 C5AR1 (0.59) C5AR1SMN1; SMN2TDP1PPARGPPARA
SCHEMBL27620790 0.86 C5AR1 (0.59) C5AR1SMN1; SMN2TDP1PPARGPPARA
SCHEMBL650039 0.86 C5AR1 (0.49) C5AR1PPARGPPARAGAAMEN1
SCHEMBL650956 0.85 C5AR1 (0.58) C5AR1SMN1; SMN2PPARGPPARATP53

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 10 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-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 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