SCHEMBL3741634

SCHEMBL3741634

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 4/20 0.35
▸ PDE2A O00408 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ CPT1A P50416 1/20 0.30
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL3745793 1.00 LTB4R (0.35) LTB4RPDE2AMAOBSCN8ASCN10A
SCHEMBL3738424 1.00 LTB4R (0.35) LTB4RPDE2AMAOBSCN8ASCN10A
SCHEMBL3735599 0.99 LTB4R (0.35) LTB4RPDE2AMAOBSCN8ASCN10A
SCHEMBL3745630 0.96 MAOB (0.37) LTB4RPDE2AMAOBSCN8ASCN10A
SCHEMBL3732538 0.91 LTB4R (0.34) LTB4R
SCHEMBL3741486 0.91 LTB4R (0.34) LTB4R
SCHEMBL3742726 0.88 MAOB (0.34) LTB4RMAOB
SCHEMBL3746423 0.87 LTB4R (0.34) LTB4RPDE2ACNR1
SCHEMBL3742855 0.86 MAOB (0.36) LTB4RPDE2AMAOB
SCHEMBL3738043 0.84 LTB4R (0.35) LTB4RMAOB

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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