SCHEMBL648587

SCHEMBL648587

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(ccn2C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
CLK4 Q9HAZ1 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GFER P55789 1/20 0.37
HSP90AA1 P07900 2/20 0.37

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
SCHEMBL4767016 0.92 C5AR1 (0.75) C5AR1SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL648698 0.91 C5AR1 (0.56) C5AR1SMN1; SMN2L3MBTL1LMNACLK4
SCHEMBL5135929 0.90 C5AR1 (0.72) C5AR1SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL649255 0.89 C5AR1 (0.71) C5AR1SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL649846 0.89 C5AR1 (0.47) C5AR1HSD11B1ALDH1A1KDM4EHPGD
SCHEMBL648372 0.88 C5AR1 (0.70) C5AR1SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL649645 0.88 C5AR1 (0.70) C5AR1SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL1913022 0.88 C5AR1 (0.69) C5AR1SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL651414 0.88 C5AR1 (0.69) C5AR1SMN1; SMN2L3MBTL1LMNATDP1
SCHEMBL649446 0.88 C5AR1 (0.72) C5AR1SMN1; SMN2L3MBTL1LMNATDP1

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