Sugi Predict

Sugi Predict / Compounds / SCHEMBL648214

SCHEMBL648214

SCHEMBL648214

CCCCn1c(-c2ccccc2)nc(C(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
▸ TSHR P16473 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40

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
SCHEMBL650114 0.94 C5AR1 (0.63) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL648143 0.91 C5AR1 (0.60) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1
Dimethylamine SCHEMBL653060 0.91 C5AR1 (0.60) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL650920 0.91 C5AR1 (0.59) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL650350 0.91 C5AR1 (0.59) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL652163 0.88 C5AR1 (0.64) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL648164 0.88 C5AR1 (0.57) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL648699 0.88 C5AR1 (0.57) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL1913049 0.88 C5AR1 (0.67) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL649661 0.87 C5AR1 (0.66) C5AR1TSHRSMN1; SMN2LMNAL3MBTL1

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