SCHEMBL1161528

SCHEMBL1161528

CC(C)COC(=O)n1nnc2cc(CBr)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.40
▸ HCAR3 P49019 6/20 0.38
▸ GAA P10253 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ F12 P00748 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KCNMA1 Q12791 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33

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
SCHEMBL1161341 0.84 KCNMA1 (0.50) FAAHHCAR3GAAMGAMAMY1A
SCHEMBL1161746 0.80 FAAH (0.40) FAAHHCAR3GAAF12KCNMA1
SCHEMBL31667519 0.80 FAAH (0.40) FAAHHCAR3GAAF12KCNMA1
SCHEMBL478164 0.68 HCAR3 (0.50) HCAR3HPGDALDH1A1NPC1RAB9A
SCHEMBL27601679 0.68 HDAC3 (0.38) HCAR3NPC1RAB9ANAMPT
SCHEMBL18031574 0.67 ALDH1A1 (0.44) HCAR3GAAMGAMAMY1ASI
SCHEMBL18031571 0.67 KCNMA1 (0.54) HCAR3GAAMGAMAMY1ASI
SCHEMBL2222809 0.66 P2RX4 (0.37) HPGDP2RX4ALDH1A1NPC1RAB9A
SCHEMBL3943731 0.66 HDAC8 (0.42) P2RX4ALDH1A1NPC1RAB9A
SCHEMBL18033713 0.65 HCAR3 (0.53) HCAR3HPGDHCAR2ALDH1A1

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
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 — — WO disclosed
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