SCHEMBL12474337

SCHEMBL12474337

CN1CCC(OC(c2cccc(SCCNC(=O)O)c2)c2nc3cc(F)ccc3[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.37
HTR1A P08908 2/20 0.36
CHRM2 P08172 2/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
PRCP P42785 1/20 0.34
DYRK1A Q13627 1/20 0.34
F9 P00740 2/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL899959 0.91 CCNT1 (0.36) BCHECHRM2KMT2APRCPDYRK1A
SCHEMBL900555 0.90 CHRM2 (0.33) BCHEHTR1ACHRM2ADRA2ACYP2D6
Hydrochloric Acid SCHEMBL901286 0.90 MAPK1 (0.34) BCHEHTR1ACHRM2ADRA2ACYP2D6
SCHEMBL900609 0.88 CHRM2 (0.39) BCHEHTR1ACHRM2ADRA2ACYP2D6
Oxalic Acid SCHEMBL900546 0.87 BCHE (0.38) BCHEHTR1ACHRM2ADRA2ACYP2D6
SCHEMBL2720629 0.86 CHRM2 (0.36) BCHEHTR1ACHRM2ADRA2ACYP2D6
SCHEMBL900392 0.86 PRCP (0.36) BCHEHTR1ACHRM2ADRA2ACYP2D6
SCHEMBL17491677 0.85 CHRM2 (0.36) BCHEHTR1ACHRM2ADRA2ACYP2D6
SCHEMBL900545 0.84 BCHE (0.35) BCHEHTR1ACHRM2ADRA2ACYP2D6
SCHEMBL900530 0.84 TSHR (0.38) HTR1ACHRM2ADRA2ACYP2D6CHRM1

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-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 EP disclosed
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