SCHEMBL650387

SCHEMBL650387

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN(CCC(C)C)Cc1cccc(OCC)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TLR7 Q9NYK1 5/20 0.34
CRHR1 P34998 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL649586 0.93 CALM1 (0.38) KMT2AMEN1CRHR1
SCHEMBL651294 0.92 BCHE (0.40) BCHEKMT2AMEN1TLR7CRHR1
SCHEMBL650477 0.91 KMT2A (0.34) BCHEKMT2AMEN1CRHR1
SCHEMBL648120 0.85 SMPD1 (0.38) KMT2AMEN1CRHR1L3MBTL1
SCHEMBL650987 0.85 CALM1 (0.41) BCHETLR7CRHR1
SCHEMBL648590 0.84 C5AR1 (0.40) KMT2AMEN1L3MBTL1
SCHEMBL1913104 0.82 C5AR1 (0.42) KMT2AMEN1CRHR1L3MBTL1
SCHEMBL650627 0.82 BCHE (0.43) BCHETLR7CRHR1
SCHEMBL650154 0.81 KMT2A (0.39) BCHEKMT2AMEN1CRHR1L3MBTL1
SCHEMBL648912 0.81 KMT2A (0.37) BCHEKMT2AMEN1CRHR1L3MBTL1

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