SCHEMBL901292

SCHEMBL901292

CN1CCC(OC(c2cccc(SCC(N)C(=O)OC(C)(C)C)c2)c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
ADRA1A P35348 2/20 0.36
DRD3 P35462 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL900627 0.92 CHRM2 (0.38) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL900517 0.87 PTPN1 (0.39) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2722470 0.85 BCHE (0.43) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2720563 0.85 CHRM2 (0.40) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2722064 0.85 HRH3 (0.42) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2723191 0.84 DRD3 (0.42) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL900461 0.84 DRD3 (0.44) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2720020 0.83 BCHE (0.42) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL901049 0.83 AAK1 (0.31) L3MBTL1
SCHEMBL2721841 0.83 DRD3 (0.45) CHRM2HTR1AADRA2ACHRM1DRD1

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 2 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
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO disclosed