SCHEMBL1976942

SCHEMBL1976942

NC(=O)c1ccc(OCCCN2CC3CCCC32)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.73
PARP10 Q53GL7 7/20 0.52
PARP15 Q460N3 4/20 0.52
PARP2 Q9UGN5 2/20 0.52
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
MAOB P27338 1/20 0.45
TBXAS1 P24557 1/20 0.43

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
SCHEMBL1976944 1.00 HRH3 (0.73) HRH3PARP10PARP15PARP2HRH2
SCHEMBL1976941 1.00 HRH3 (0.73) HRH3PARP10PARP15PARP2HRH2
SCHEMBL1979837 0.89 HRH3 (0.68) HRH3PARP10PARP15PARP2HRH2
SCHEMBL1983095 0.89 HRH3 (0.68) HRH3PARP10PARP15PARP2HRH2
SCHEMBL1981435 0.89 HRH3 (0.57) HRH3HRH2HRH1MAOBTBXAS1
SCHEMBL1981431 0.89 HRH3 (0.57) HRH3HRH2HRH1MAOBTBXAS1
SCHEMBL1981428 0.89 HRH3 (0.57) HRH3HRH2HRH1MAOBTBXAS1
SCHEMBL14152810 0.85 HRH3 (1.00) HRH3PARP10PARP15PARP2HRH2
SCHEMBL13570581 0.85 HRH3 (1.00) HRH3PARP10PARP15PARP2HRH2
SCHEMBL14152811 0.85 HRH3 (1.00) HRH3PARP10PARP15PARP2HRH2

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
WO-2011070252-A1 AZABICYCLO[3.2.0]HEPT-6-YL DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR LES LABORATOIRES SERVIER (FR) 2011-06-16 WO disclosed