SCHEMBL10637

SCHEMBL10637

NC(=O)CCCc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.76
KCNH2 Q12809 2/20 0.60
HRH1 P35367 1/20 0.60
HRH4 Q9H3N8 1/20 0.58

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
SCHEMBL10626 0.88 HRH3 (0.63) HRH3KCNH2HRH1
SCHEMBL12050749 0.87 HRH3 (1.00) HRH3KCNH2HRH1
SCHEMBL10377 0.83 NPC1 (0.58) HRH3HRH1
SCHEMBL3782542 0.83 HRH3 (0.68) HRH3HRH1
SCHEMBL2824059 0.82 HRH3 (0.67) HRH3
SCHEMBL4094339 0.81 HRH3 (1.00) HRH3KCNH2HRH1HRH4
SCHEMBL12050645 0.81 HRH3 (1.00) HRH3KCNH2HRH1HRH4
SCHEMBL492219 0.81 HRH3 (0.75) HRH3
SCHEMBL2824056 0.81 HRH3 (0.66) HRH3
SCHEMBL2821540 0.80 HRH3 (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed