SCHEMBL7979808

SCHEMBL7979808

CC(NC(=O)O)C(=O)N1CCN(CCCOc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 15/20 0.58
HRH1 P35367 15/20 0.58
EPHX2 P34913 2/20 0.53
HRH3 Q9Y5N1 4/20 0.51

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
SCHEMBL7244762 1.00 HRH2 (0.58) HRH2HRH1EPHX2HRH3
SCHEMBL7978302 0.87 HRH2 (0.61) HRH2HRH1HRH3
SCHEMBL7245178 0.87 HRH2 (0.61) HRH2HRH1HRH3
SCHEMBL7243588 0.87 HRH2 (0.61) HRH2HRH1HRH3
SCHEMBL7244782 0.86 HRH2 (0.65) HRH2HRH1HRH3
SCHEMBL7250883 0.86 HRH2 (0.65) HRH2HRH1HRH3
SCHEMBL7251111 0.85 HRH2 (0.62) HRH2HRH1HRH3
SCHEMBL7246489 0.82 HRH2 (0.68) HRH2HRH1HRH3
SCHEMBL7251299 0.82 HRH2 (0.80) HRH2HRH1HRH3
SCHEMBL7250960 0.82 HRH2 (0.68) 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