SCHEMBL1161341

SCHEMBL1161341

Cc1ccc2c(c1)nnn2C(=O)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.50
▸ GAA P10253 4/20 0.41
▸ MGAM O43451 3/20 0.41
▸ AMY1A P0DUB6 3/20 0.41
▸ SI P14410 3/20 0.41
▸ MGAM2 Q2M2H8 3/20 0.41
▸ HCAR3 P49019 3/20 0.40
▸ NAMPT P43490 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ F12 P00748 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GPR139 Q6DWJ6 1/20 0.36

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
SCHEMBL1161528 0.84 FAAH (0.40) KCNMA1GAAMGAMAMY1ASI
SCHEMBL18031569 0.82 KCNMA1 (0.53) KCNMA1GAAMGAMAMY1ASI
SCHEMBL18031574 0.81 ALDH1A1 (0.44) KCNMA1GAAMGAMAMY1ASI
SCHEMBL18031571 0.80 KCNMA1 (0.54) KCNMA1GAAMGAMAMY1ASI
SCHEMBL31666989 0.77 KCNMA1 (0.53) KCNMA1GAAMGAMAMY1ASI
SCHEMBL1161338 0.77 KCNMA1 (0.53) KCNMA1GAAMGAMAMY1ASI
SCHEMBL10428733 0.77 KCNMA1 (0.62) KCNMA1GAAMGAMAMY1ASI
SCHEMBL11440840 0.75 KCNMA1 (0.61) KCNMA1GAAMGAMAMY1ASI
SCHEMBL4054573 0.75 KCNMA1 (0.61) KCNMA1GAAMGAMAMY1ASI
SCHEMBL24019555 0.74 KCNMA1 (0.59) KCNMA1GAAMGAMAMY1ASI

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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