SCHEMBL900092

SCHEMBL900092

CN1CCC(O[C@H](c2ccccc2)c2nc3ccccc3s2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.63
CHRM1 P11229 3/20 0.63
ADRA2A P08913 2/20 0.63
DRD1 P21728 2/20 0.63
SLC6A2 P23975 2/20 0.63
ADRA1A P35348 2/20 0.63
OPRM1 P35372 2/20 0.63
DRD3 P35462 2/20 0.63
SLC6A3 Q01959 2/20 0.63
KCNH2 Q12809 2/20 0.63
HRH3 Q9Y5N1 2/20 0.63
CYP2D6 P10635 2/20 0.63
HTR1A P08908 1/20 0.63
MAPK1 P28482 2/20 0.61
HPGD P15428 1/20 0.46
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42

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
SCHEMBL900566 1.00 CHRM2 (0.63) CHRM2CHRM1ADRA2ADRD1SLC6A2
SCHEMBL2722328 0.93 CHRM1 (0.53) CHRM2CHRM1ADRA2ADRD1SLC6A2
SCHEMBL2722079 0.92 CHRM2 (0.52) CHRM2CHRM1ADRA2ADRD1SLC6A2
SCHEMBL2720633 0.91 CHRM1 (0.51) CHRM2CHRM1ADRA2ADRD1SLC6A2
SCHEMBL2719906 0.91 DRD3 (0.51) CHRM2CHRM1ADRA2ADRD1SLC6A2
SCHEMBL900508 0.90 CHRM2 (0.51) CHRM2CHRM1ADRA2ADRD1SLC6A2
SCHEMBL900368 0.90 MAPK1 (0.55) CHRM2CHRM1ADRA2ADRD1SLC6A2
SCHEMBL20503142 0.89 CHRM2 (0.49) CHRM2CHRM1ADRA2ADRD1SLC6A2
SCHEMBL2720681 0.89 CHRM2 (0.49) CHRM2CHRM1ADRA2ADRD1SLC6A2
SCHEMBL900072 0.89 HRH3 (0.49) CHRM2CHRM1ADRA2ADRD1SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO disclosed