SCHEMBL7976441

SCHEMBL7976441

O=C(O)NCCC(=O)N1CCCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 18/20 0.69
HRH1 P35367 18/20 0.69
HRH3 Q9Y5N1 3/20 0.64
MAOB P27338 1/20 0.64

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
SCHEMBL7244490 0.88 HRH2 (0.66) HRH2HRH1HRH3MAOB
SCHEMBL7243987 0.84 HRH3 (0.75) HRH2HRH1HRH3MAOB
SCHEMBL7252564 0.83 HRH3 (0.76) HRH2HRH1HRH3MAOB
SCHEMBL7244767 0.82 HRH3 (0.78) HRH2HRH1HRH3MAOB
SCHEMBL7245910 0.81 HRH3 (0.80) HRH2HRH1HRH3MAOB
SCHEMBL7245805 0.80 HRH2 (0.78) HRH2HRH1HRH3MAOB
SCHEMBL7244924 0.80 HRH2 (0.63) HRH2HRH1HRH3MAOB
SCHEMBL492129 0.79 HRH3 (1.00) HRH2HRH1HRH3MAOB
SCHEMBL7244430 0.79 HRH2 (0.68) HRH2HRH1HRH3MAOB
SCHEMBL7243930 0.79 HRH2 (0.69) HRH2HRH1HRH3

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-2001066534-A2 CYCLIC AND BICYCLIC DIAMINO HISTAMINE-3 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-13 WO disclosed