SCHEMBL650920

SCHEMBL650920

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
ALDH1A1 P00352 7/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL650350 0.93 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL650114 0.91 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648699 0.91 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
Dimethylamine SCHEMBL653060 0.91 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648214 0.91 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648143 0.89 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL5136520 0.89 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL649777 0.89 C5AR1 (0.55) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL649436 0.86 C5AR1 (0.54) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL650811 0.86 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR

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