SCHEMBL7965985

SCHEMBL7965985

C[C@H](OCc1ccccc1)[C@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 19/20 0.60
HRH1 P35367 19/20 0.60
HRH3 Q9Y5N1 2/20 0.59

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
SCHEMBL7965960 0.89 HRH2 (0.64) HRH2HRH1HRH3
SCHEMBL7980042 0.85 HRH2 (0.69) HRH2HRH1HRH3
SCHEMBL7245464 0.83 HRH2 (0.66) HRH2HRH1HRH3
SCHEMBL7979622 0.81 HRH2 (0.71) HRH2HRH1HRH3
SCHEMBL7979448 0.78 HRH2 (0.70) HRH2HRH1HRH3
SCHEMBL7965988 0.78 HRH2 (0.62) HRH2HRH1HRH3
SCHEMBL7249365 0.78 HRH2 (0.63) HRH2HRH1HRH3
SCHEMBL7251638 0.77 HRH2 (0.72) HRH2HRH1HRH3
SCHEMBL17712392 0.77 DPP7 (0.41)
SCHEMBL7252288 0.76 HRH2 (0.77) 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 claimed