SCHEMBL9049366

SCHEMBL9049366

C1=CCC2=c3nc(CC4CCNC4)sc3=CC2=C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.35
HRH3 Q9Y5N1 3/20 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
Hydrochloric Acid SCHEMBL9046305 0.99 HRH4 (0.34) HRH4HRH3
SCHEMBL9049747 0.93 HRH4 (0.38) HRH4HRH3
SCHEMBL9047832 0.93 HRH3 (0.33) HRH4HRH3
Hydrochloric Acid SCHEMBL9046914 0.92 HRH4 (0.37) HRH4HRH3
Fumaric Acid SCHEMBL9048878 0.91 SLC6A1 (0.32) HRH4HRH3
SCHEMBL9048002 0.81 HRH4 (0.35) HRH4HRH3
SCHEMBL9045698 0.78 MEN1 (0.32)
Fumaric Acid SCHEMBL9048941 0.72
Hydrochloric Acid SCHEMBL9050368 0.71 DRD2 (0.39) HRH3
Fumaric Acid SCHEMBL9048324 0.71 GFER (0.32)

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-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP claimed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed