SCHEMBL900503

SCHEMBL900503

CN1CCC(OC(c2cccc(SC(C(N)=O)C(Sc3cccc(C(OC4CCN(C)CC4)c4nc5ccccc5s4)c3)C(=O)NN)c2)c2nc3ccccc3s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 1/20 0.36
ALOX5 P09917 1/20 0.35
NEK2 P51955 1/20 0.34
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL12474315 0.88 ALOX5 (0.42) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL900571 0.84 LMNA (0.40) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL900502 0.83 LMNA (0.38) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL2720818 0.83 ALDH1A1 (0.40) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL900485 0.82 CHRM2 (0.46) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL2721750 0.81 CHRM2 (0.37) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL2720008 0.81 LMNA (0.41) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL900488 0.81 CHRM2 (0.39) CHRM2HTR1AADRA2ACYP2D6CHRM1
Hydrazine SCHEMBL2721746 0.81 CHRM2 (0.41) CHRM2HTR1AADRA2ACYP2D6CHRM1
SCHEMBL2721449 0.80 CYP2D6 (0.42) CHRM2HTR1AADRA2ACYP2D6CHRM1

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-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 EP claimed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 EP claimed