SCHEMBL4047116

SCHEMBL4047116

C[C@@H]1CCCN1CCCOc1ccc(-c2nc3c(s2)CN(C(=O)O)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.59
KCNH2 Q12809 2/20 0.49
HTR3A P46098 2/20 0.49
CHRM2 P08172 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1A P35348 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 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
SCHEMBL3586540 0.93 HRH3 (0.59) HRH3KCNH2HTR3ASLC6A3
SCHEMBL3580292 0.93 HRH3 (0.59) HRH3KCNH2HTR3ASLC6A3
SCHEMBL3582277 0.93 HRH3 (0.59) HRH3KCNH2HTR3ASLC6A3
SCHEMBL3578184 0.92 HRH3 (0.58) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3580739 0.92 HRH3 (0.56) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3578782 0.91 HRH3 (0.57) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3589176 0.91 HRH3 (0.57) HRH3KCNH2HTR3ANPC1RAB9A
SCHEMBL3582935 0.91 HRH3 (0.57) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL3579817 0.91 HRH3 (0.57) HRH3KCNH2NPC1RAB9A
SCHEMBL3577298 0.91 HRH3 (0.57) 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