SCHEMBL7982448

SCHEMBL7982448

CC(C)[C@H](N)C(=O)N1CCN(CCCOC2=CC[CH]C=C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 20/20 0.52
HRH1 P35367 20/20 0.52
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL7978323 0.87 HRH2 (0.54) HRH2HRH1HRH3
SCHEMBL7980024 0.86 HRH2 (0.51) HRH2HRH1HRH3
SCHEMBL7978201 0.80 HRH2 (0.58) HRH2HRH1
SCHEMBL7976458 0.71 HRH2 (0.67) HRH2HRH1HRH3
SCHEMBL4496754 0.70 LTA4H (0.44) HRH3
SCHEMBL7442447 0.70 MEN1 (0.46) HRH3
SCHEMBL25533781 0.69 HRH2 (0.60) HRH2HRH1
SCHEMBL7245974 0.69 HRH2 (1.00) HRH2HRH1
SCHEMBL7246320 0.69 HRH2 (1.00) HRH2HRH1
SCHEMBL12251995 0.68 HRH2 (0.52) HRH2HRH1

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 claimed