SCHEMBL650460

SCHEMBL650460

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cc(C)c(OC)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.40
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
BCHE P06276 3/20 0.33
CRHR1 P34998 3/20 0.32
PDE2A O00408 1/20 0.32
LMNA P02545 2/20 0.32
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
CASR P41180 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL651014 0.95 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTDAGLA
SCHEMBL648977 0.92 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTBCHE
SCHEMBL5135971 0.92 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTBCHE
SCHEMBL650206 0.92 C5AR1 (0.43) C5AR1TSHRALDH1A1HTTBCHE
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1TSHRALDH1A1HTTDAGLA
SCHEMBL650094 0.91 CRHR1 (0.38) C5AR1TSHRALDH1A1HTTDAGLA
SCHEMBL648305 0.91 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTBCHE
SCHEMBL1913032 0.91 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTBCHE
SCHEMBL651956 0.91 C5AR1 (0.43) C5AR1TSHRALDH1A1HTTDAGLA
SCHEMBL650339 0.90 C5AR1 (0.41) C5AR1TSHRALDH1A1CRHR1KDM4E

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