SCHEMBL900971

SCHEMBL900971

CN1CCC(OC(c2cccc(SCCCCCN)c2)c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPK1 P28482 1/20 0.39
MLKL Q8NB16 1/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRIN2A Q12879 1/20 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
SCHEMBL900386 1.00 DRD3 (0.40) DRD3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2721698 0.99 DRD3 (0.40) DRD3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2720193 0.97 DRD3 (0.42) DRD3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL900461 0.95 DRD3 (0.44) DRD3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL900491 0.92 DRD3 (0.40) DRD3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2721436 0.92 DRD3 (0.40) DRD3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL15226842 0.92 DRD3 (0.41) DRD3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2720003 0.91 DRD3 (0.40) DRD3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2721762 0.90 DRD3 (0.41) DRD3CHRM2HTR1AADRA2ACYP2D6
SCHEMBL17491677 0.90 CHRM2 (0.36) DRD3CHRM2HTR1AADRA2ACYP2D6

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 11 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 claimed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP claimed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 EP claimed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO claimed
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 EP disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 EP disclosed
US-20150176010-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2015-06-25 US disclosed
EP-2858647-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2015-04-15 EP disclosed
WO-2013182711-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2013-12-12 WO disclosed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 EP disclosed