SCHEMBL13189441

SCHEMBL13189441

Bc1ccc2c(c1)CCC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
ACHE P22303 4/20 0.47
EPHX2 P34913 1/20 0.46
MTNR1A P48039 5/20 0.45
MTNR1B P49286 5/20 0.45
DRD2 P14416 4/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CTSK P43235 2/20 0.40
BTK Q06187 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL7399411 0.86 CA1 (0.64) CA1CA2ACHEEPHX2MTNR1A
SCHEMBL13262741 0.86 CA1 (0.48) CA1CA2ACHEEPHX2MTNR1A
SCHEMBL17478424 0.85 CA1 (0.47) CA1CA2ACHEEPHX2MTNR1A
SCHEMBL17478343 0.85 CA1 (0.47) CA1CA2ACHEEPHX2MTNR1A
SCHEMBL4119861 0.85 CA1 (0.47) CA1CA2ACHEEPHX2MTNR1A
SCHEMBL1338041 0.85 CA1 (0.47) CA1CA2ACHEEPHX2MTNR1A
SCHEMBL4101120 0.85 CA1 (0.47) CA1CA2ACHEEPHX2MTNR1A
SCHEMBL13263584 0.85 CA1 (0.47) CA1CA2ACHEEPHX2MTNR1A
SCHEMBL17478334 0.84 CA1 (0.46) CA1CA2ACHEEPHX2MTNR1A
SCHEMBL2629486 0.84 CA1 (0.46) CA1CA2ACHEEPHX2MTNR1A

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-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 WO disclosed