SCHEMBL2720437

SCHEMBL2720437

CN1CCC(OC(c2ccc(OC(F)(F)F)cc2)c2nc3ccccc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
TRPV4 Q9HBA0 1/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 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
SCHEMBL2719841 0.90 SLC6A2 (0.44) OPRM1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL900368 0.88 MAPK1 (0.55) OPRM1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2720633 0.87 CHRM1 (0.51) OPRM1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL900092 0.86 CHRM2 (0.63) OPRM1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL900566 0.86 CHRM2 (0.63) OPRM1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL900340 0.86 SLC6A2 (0.38) OPRM1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2722079 0.86 CHRM2 (0.52) OPRM1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2719888 0.85 MAPK1 (0.36) OPRM1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2719906 0.85 DRD3 (0.51) OPRM1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL2722795 0.84 CHRM2 (0.47) OPRM1CHRM2HTR1AADRA2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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