SCHEMBL4055172

SCHEMBL4055172

CCC1CCCc2sc(-c3ccc(OCCCN4CCCC4C)cc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.53
KCNH2 Q12809 3/20 0.52
HTR3A P46098 4/20 0.49
CHRM2 P08172 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 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
SCHEMBL3579130 0.88 HRH3 (0.56) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3579147 0.88 HRH3 (0.53) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3576448 0.85 HRH3 (0.51) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3575983 0.85 HRH3 (0.54) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3575022 0.84 HRH3 (0.56) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL13542103 0.84 HRH3 (0.56) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL4060009 0.84 HRH3 (0.56) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3582479 0.83 HRH3 (0.55) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL4054550 0.82 HRH3 (0.58) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3570912 0.82 HRH3 (0.54) HRH3KCNH2HTR3ACHRM2SLC6A2

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