SCHEMBL10636

SCHEMBL10636

CCC(C(N)=O)c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.61
KCNH2 Q12809 4/20 0.60
HRH1 P35367 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
HRH4 Q9H3N8 2/20 0.55

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
SCHEMBL10625 0.89 HRH3 (0.61) HRH3KCNH2HRH1MEN1KMT2A
SCHEMBL10376 0.83 SMN1; SMN2 (0.58) HRH3KCNH2MEN1KMT2AMAPT
SCHEMBL12050645 0.78 HRH3 (1.00) HRH3KCNH2HRH1HRH4
SCHEMBL4094339 0.78 HRH3 (1.00) HRH3KCNH2HRH1HRH4
SCHEMBL12050718 0.77 HRH3 (0.96) HRH3KCNH2HRH1HRH4
SCHEMBL491796 0.76 ALDH1A1 (0.84) HRH3KCNH2MEN1KMT2A
SCHEMBL5327477 0.76 MMP9 (0.62) POLB
SCHEMBL5856173 0.75 ALDH1A1 (0.82) HRH3KCNH2MEN1KMT2A
SCHEMBL12050724 0.75 HRH3 (0.75) HRH3KCNH2HRH1POLBMAPT
SCHEMBL10637 0.75 HRH3 (0.76) HRH3KCNH2HRH1HRH4

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