Sugi Predict

Sugi Predict / Compounds / SCHEMBL650262

SCHEMBL650262

SCHEMBL650262

CCCCn1c(-c2ccccc2)nc(-c2cccc(C)c2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ F2R P25116 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ HSP90AB1 P08238 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PPARG P37231 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
SCHEMBL1913064 0.97 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL651266 0.94 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL1913022 0.94 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL4767016 0.94 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL647696 0.92 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL648372 0.92 C5AR1 (0.70) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL649645 0.92 C5AR1 (0.70) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL5135929 0.92 C5AR1 (0.72) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL651414 0.92 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL652688 0.91 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1F2R

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 11 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
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS 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
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 — — WO disclosed