SCHEMBL648111

SCHEMBL648111

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1cccc(OC)c1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
METAP2 P50579 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
F2R P25116 3/20 0.38
GLA P06280 1/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 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
SCHEMBL650806 0.95 C5AR1 (0.57) C5AR1HTR2AHTR2CHTR2BTLR7
SCHEMBL648633 0.93 C5AR1 (0.50) C5AR1METAP2MEN1KMT2ATLR7
SCHEMBL648110 0.92 C5AR1 (0.49) C5AR1TLR7LMNAL3MBTL1PTGDR2
SCHEMBL652376 0.92 C5AR1 (0.58) C5AR1LMNAL3MBTL1PTGDR2ALDH1A1
SCHEMBL647791 0.91 C5AR1 (0.49) C5AR1METAP2HTR2AHTR2CHTR2B
SCHEMBL649331 0.91 C5AR1 (0.49) C5AR1METAP2HTR2AHTR2CHTR2B
SCHEMBL648948 0.91 C5AR1 (0.50) C5AR1MEN1KMT2ALMNAL3MBTL1
SCHEMBL651035 0.90 C5AR1 (0.54) C5AR1LMNAL3MBTL1PTGDR2ALDH1A1
SCHEMBL648139 0.90 C5AR1 (0.54) C5AR1F2RLMNAL3MBTL1MAPT
SCHEMBL1913081 0.90 C5AR1 (0.54) C5AR1METAP2HTR2AHTR2CHTR2B

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 7 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
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