SCHEMBL900502

SCHEMBL900502

CN1CCC(OC(c2cccc(SCC(=O)NN)c2)c2nc3ccccc3s2)CC1.CN1CCC(OC(c2cccc(SCC(N)=O)c2)c2nc3ccccc3s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 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
CCR3 P51677 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL900571 0.97 LMNA (0.40) LMNATP53ALDH1A1CHRM2HTR1A
SCHEMBL2720818 0.95 ALDH1A1 (0.40) LMNATP53ALDH1A1CHRM2HTR1A
SCHEMBL2720008 0.91 LMNA (0.41) LMNATP53ALDH1A1CHRM2HTR1A
SCHEMBL2721750 0.88 CHRM2 (0.37) LMNATP53ALDH1A1CHRM2HTR1A
SCHEMBL900488 0.88 CHRM2 (0.39) LMNATP53ALDH1A1CHRM2HTR1A
Hydrazine SCHEMBL2721746 0.88 CHRM2 (0.41) LMNATP53ALDH1A1CHRM2HTR1A
SCHEMBL2720326 0.85 CHRM2 (0.37) LMNATP53ALDH1A1CHRM2HTR1A
SCHEMBL900503 0.83 CHRM2 (0.37) LMNAALDH1A1CHRM2HTR1AADRA2A
SCHEMBL2721449 0.83 CYP2D6 (0.42) ALDH1A1CHRM2HTR1AADRA2ACYP2D6
SCHEMBL900682 0.83 HRH3 (0.44) ALDH1A1CHRM2HTR1AADRA2ACYP2D6

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