SCHEMBL28806544

SCHEMBL28806544

FC(F)Oc1cc(CCBr)ccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ LOXL2 Q9Y4K0 6/20 0.38
▸ LOX P28300 3/20 0.38
▸ UTRN P46939 1/20 0.34
▸ GRM2 Q14416 6/20 0.32
▸ DAO P14920 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ PDE4A P27815 2/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL4536253 0.86 HCRTR1 (0.40) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL30329140 0.79 RECQL (0.47) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL18083206 0.79 NOS3 (0.47) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL1437199 0.79 RECQL (0.47) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL14925194 0.79 HCRTR1 (0.40) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL13164105 0.79 LOXL2 (0.61) HCRTR1HCRTR2LOXL2LOX
Hydrochloric Acid SCHEMBL25210344 0.78 LOXL2 (0.59) HCRTR1HCRTR2LOXL2LOX
SCHEMBL14486857 0.77 LOXL2 (0.62) LOXL2LOXGRM2TDP1
SCHEMBL31583016 0.77 LOXL2 (0.62) LOXL2LOXGRM2TDP1
SCHEMBL17000198 0.77 LOXL2 (0.41) HCRTR1HCRTR2LOXL2LOXUTRN

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
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 — — CN disclosed
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