SCHEMBL3745630

SCHEMBL3745630

O=C1CC(OCCCC(F)(F)F)=Cc2nc3cc(Cl)ccc3cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.37
▸ PDE2A O00408 3/20 0.37
▸ SCN8A Q9UQD0 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ CNR1 P21554 1/20 0.33
▸ LTB4R Q15722 2/20 0.32
▸ MGAT2 Q10469 4/20 0.31
▸ HSP90AA1 P07900 2/20 0.31
▸ HSP90AB1 P08238 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL3735599 0.97 LTB4R (0.35) MAOBPDE2ASCN8ASCN10ACNR1
SCHEMBL3738424 0.96 LTB4R (0.35) MAOBPDE2ASCN8ASCN10ACNR1
SCHEMBL3745793 0.96 LTB4R (0.35) MAOBPDE2ASCN8ASCN10ACNR1
SCHEMBL3741634 0.96 LTB4R (0.35) MAOBPDE2ASCN8ASCN10ACNR1
SCHEMBL3741486 0.89 LTB4R (0.34) LTB4R
SCHEMBL3732538 0.89 LTB4R (0.34) LTB4R
SCHEMBL3746423 0.85 LTB4R (0.34) PDE2ACNR1LTB4R
SCHEMBL3742726 0.83 MAOB (0.34) MAOBLTB4RKCNH2
SCHEMBL3742855 0.81 MAOB (0.36) MAOBPDE2ALTB4RMGAT2
SCHEMBL3738043 0.80 LTB4R (0.35) MAOBLTB4R

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-7829578-B1 Aromatic ketones and uses thereof OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-11-09 — — US disclosed
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