SCHEMBL651401

SCHEMBL651401

CCCCn1c(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1CN(Cc1cccc(OCC)c1)Cc1cccc(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 2/20 0.39
BCHE P06276 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NTRK1 P04629 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA2D1 P54289 1/20 0.36

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
SCHEMBL650569 0.94 C5AR1 (0.44) C5AR1MAPTBCHEHPGDTLR7
SCHEMBL649258 0.94 C5AR1 (0.45) C5AR1MAPTBCHEKDM4EALDH1A1
SCHEMBL651877 0.93 CACNA2D1 (0.42) C5AR1MAPTBCHEKDM4EALDH1A1
SCHEMBL650505 0.93 C5AR1 (0.43) C5AR1MAPTBCHEKDM4EALDH1A1
SCHEMBL649417 0.92 C5AR1 (0.43) C5AR1MAPTBCHEKDM4EALDH1A1
SCHEMBL648391 0.92 C5AR1 (0.38) C5AR1MAPTPOLBRXFP1BCHE
SCHEMBL649083 0.91 C5AR1 (0.42) C5AR1MAPTBCHEKDM4EALDH1A1
SCHEMBL648177 0.91 C5AR1 (0.42) C5AR1MAPTBCHEPPARGPPARA
SCHEMBL1912830 0.91 C5AR1 (0.58) C5AR1MAPTKDM4EPPARGPPARA
SCHEMBL648091 0.90 C5AR1 (0.44) C5AR1MAPTBCHEPPARGPPARA

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 8 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
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