SCHEMBL4501680

SCHEMBL4501680

CC(O)c1cccc(NC(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
MET P08581 10/20 0.55
TLR9 Q9NR96 4/20 0.51
TLR7 Q9NYK1 3/20 0.51
EPHX2 P34913 1/20 0.49

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
SCHEMBL14724684 0.79 EPHX2 (0.59) METEPHX2
SCHEMBL4498809 0.79 HRH3 (0.64) HRH3
SCHEMBL4505460 0.77 HRH3 (0.68) HRH3
SCHEMBL13202487 0.77 EPHX2 (0.56) METTLR9EPHX2
SCHEMBL4496358 0.76 HRH3 (0.72) HRH3
SCHEMBL4506398 0.76 HRH3 (0.65) HRH3
SCHEMBL4509190 0.75 HRH3 (0.64) HRH3
SCHEMBL4499048 0.75 HRH3 (0.64) HRH3
SCHEMBL4969245 0.74 MCHR1 (0.70) HRH3
SCHEMBL4502549 0.74 HRH3 (0.67) HRH3

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
US-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed