SCHEMBL649995

SCHEMBL649995

CCCCn1c(-c2ccccc2C)nc(C#N)c1CN(Cc1ccc(C(=O)OC)cc1)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 6/20 0.36
TSHR P16473 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PTGER3 P43115 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34

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
SCHEMBL651692 0.92 C5AR1 (0.40) C5AR1ALDH1A1TSHRMAPTKDM4E
SCHEMBL648085 0.91 C5AR1 (0.46) C5AR1GSK3AGSK3BALDH1A1TSHR
SCHEMBL652538 0.90 C5AR1 (0.39) C5AR1GSK3AGSK3BALDH1A1TSHR
SCHEMBL653426 0.89 C5AR1 (0.38) C5AR1GSK3AGSK3BALDH1A1TSHR
SCHEMBL1913113 0.88 C5AR1 (0.48) C5AR1GSK3AGSK3BALDH1A1TSHR
SCHEMBL1913112 0.87 C5AR1 (0.43) C5AR1GSK3AGSK3BALDH1A1TSHR
SCHEMBL650376 0.84 C5AR1 (0.38) C5AR1ALDH1A1TSHRMAPTKDM4E
SCHEMBL650230 0.84 C5AR1 (0.49) C5AR1ALDH1A1TSHRMAPTKDM4E
SCHEMBL651293 0.82 C5AR1 (0.49) C5AR1GSK3AGSK3BALDH1A1TSHR
SCHEMBL1913100 0.82 C5AR1 (0.42) C5AR1ALDH1A1TSHRMAPTMEN1

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 9 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
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed