Sugi Predict

Sugi Predict / Compounds / SCHEMBL651050

SCHEMBL651050

SCHEMBL651050

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ HSP90AB1 P08238 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ SIRT2 Q8IXJ6 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
SCHEMBL650557 0.91 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1913046 0.90 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651404 0.90 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648436 0.90 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL648435 0.90 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651405 0.90 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL14416653 0.89 C5AR1 (0.51) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5137896 0.89 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5137906 0.89 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1913049 0.88 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1

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