Sugi Predict

Sugi Predict / Compounds / SCHEMBL650956

SCHEMBL650956

SCHEMBL650956

CCCCn1c(-c2ccccc2)nc(-c2ccc(F)cc2)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.58
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ GNRHR P30968 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL648344 0.96 C5AR1 (0.63) C5AR1PPARGPPARAGNRHRLMNA
SCHEMBL649030 0.95 C5AR1 (0.60) C5AR1PPARGPPARAGNRHRLMNA
SCHEMBL652971 0.94 C5AR1 (0.56) C5AR1PPARGPPARAGNRHRLMNA
SCHEMBL651379 0.94 C5AR1 (0.56) C5AR1PPARGPPARAGNRHRLMNA
SCHEMBL649256 0.94 C5AR1 (0.59) C5AR1PPARGPPARAGNRHRLMNA
SCHEMBL27620790 0.93 C5AR1 (0.59) C5AR1PPARGPPARAGNRHRLMNA
SCHEMBL649243 0.93 C5AR1 (0.60) C5AR1PPARGPPARALMNASMN1; SMN2
SCHEMBL652470 0.93 C5AR1 (0.56) C5AR1PPARGPPARAGNRHRLMNA
SCHEMBL651369 0.93 C5AR1 (0.54) C5AR1PPARGPPARAGNRHRLMNA
SCHEMBL1912830 0.93 C5AR1 (0.58) C5AR1PPARGPPARAGNRHRLMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 — — CN claimed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 — — EP claimed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 — — US claimed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 — — WO claimed
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