SCHEMBL3879396

SCHEMBL3879396

O=C(O)Oc1ccc(N2CCC(c3nc4c(s3)CCN(C3CCC3)CC4)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.39
PIK3CG P48736 1/20 0.38
HRH1 P35367 1/20 0.36

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
SCHEMBL3879394 0.86 HRH3 (0.44) HRH3PIK3CG
SCHEMBL3880490 0.84 HRH3 (0.55) HRH3
SCHEMBL3881397 0.83 HRH3 (0.40) HRH3
SCHEMBL3882084 0.81 HRH3 (0.47) HRH3HRH1
SCHEMBL3879149 0.81 HRH3 (0.43) HRH3PIK3CG
SCHEMBL3880697 0.80 HRH3 (0.39) HRH3
SCHEMBL3882668 0.79 HRH3 (0.38) HRH3
SCHEMBL3879080 0.79 HRH3 (0.40) HRH3
SCHEMBL3878465 0.78 HRH3 (0.41) HRH3
SCHEMBL4039849 0.77 HRH3 (0.48) HRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP claimed