SCHEMBL652540

SCHEMBL652540

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
P2RX7 Q99572 2/20 0.38
HTR2A P28223 4/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.34
MMP13 P45452 2/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CRHR1 P34998 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MMP1 P03956 1/20 0.31

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
SCHEMBL651780 0.92 C5AR1 (0.40) C5AR1P2RX7PPARGPPARAALDH1A1
SCHEMBL650574 0.90 C5AR1 (0.41) C5AR1MMP13ALDH1A1HTTTSHR
SCHEMBL651033 0.89 C5AR1 (0.44) C5AR1NR1H3MMP13ALDH1A1HTT
SCHEMBL649882 0.88 C5AR1 (0.41) C5AR1P2RX7ALDH1A1HTTTSHR
SCHEMBL650238 0.88 C5AR1 (0.40) C5AR1MMP13ALDH1A1HTTTSHR
SCHEMBL649675 0.88 C5AR1 (0.42) C5AR1P2RX7MMP13PPARGPPARA
SCHEMBL651956 0.88 C5AR1 (0.43) C5AR1MMP13ALDH1A1HTTTSHR
SCHEMBL651639 0.87 C5AR1 (0.41) C5AR1MMP13PPARAALDH1A1HTT
SCHEMBL650606 0.87 MAPT (0.41) C5AR1PPARGPPARAALDH1A1HTT
SCHEMBL650071 0.87 C5AR1 (0.37) C5AR1PPARGPPARA

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