SCHEMBL4054550

SCHEMBL4054550

CC1CCCN1CCCOc1ccc(-c2nc3c(s2)CCC3NC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.58
HTR3A P46098 4/20 0.51
KCNH2 Q12809 2/20 0.51
CHRM2 P08172 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL3578703 0.93 HRH3 (0.56) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL14303754 0.89 HRH3 (0.51) HRH3HTR3AKCNH2
SCHEMBL3576247 0.89 HRH3 (0.51) HRH3HTR3AKCNH2
SCHEMBL3582479 0.89 HRH3 (0.55) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL3570912 0.87 HRH3 (0.54) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL3581652 0.86 HRH3 (0.56) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL3573815 0.85 HRH3 (0.50) HRH3HTR3AKCNH2
SCHEMBL3584189 0.85 HRH3 (0.57) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL3582416 0.84 HRH3 (0.57) HRH3HTR3AKCNH2CHRM2SLC6A2
SCHEMBL3575983 0.84 HRH3 (0.54) HRH3HTR3AKCNH2CHRM2SLC6A2

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-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 WO disclosed