SCHEMBL649042

SCHEMBL649042

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.55
GNRHR P30968 4/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PPARD Q03181 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 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
SCHEMBL1912828 0.95 C5AR1 (0.54) C5AR1GNRHRPPARGPPARALMNA
SCHEMBL649030 0.94 C5AR1 (0.60) C5AR1GNRHRPPARGPPARAPPARD
SCHEMBL650064 0.94 C5AR1 (0.62) C5AR1GNRHRPPARGPPARALMNA
SCHEMBL652470 0.93 C5AR1 (0.56) C5AR1GNRHRPPARGPPARALMNA
SCHEMBL648344 0.93 C5AR1 (0.63) C5AR1GNRHRPPARGPPARALMNA
SCHEMBL652078 0.93 C5AR1 (0.54) C5AR1GNRHRPPARGPPARALMNA
SCHEMBL649067 0.92 C5AR1 (0.54) C5AR1GNRHRPPARGPPARALMNA
SCHEMBL649725 0.92 C5AR1 (0.58) C5AR1GNRHRLMNASMN1; SMN2ALDH1A1
SCHEMBL650956 0.92 C5AR1 (0.58) C5AR1GNRHRPPARGPPARALMNA
SCHEMBL649256 0.92 C5AR1 (0.59) C5AR1GNRHRPPARGPPARALMNA

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
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
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