SCHEMBL12507941

SCHEMBL12507941

C[C@H]1CCC(C(=O)N(C)C)C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.43
▸ KDM1A O60341 2/20 0.38
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ CTSK P43235 2/20 0.35
▸ GAA P10253 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 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
SCHEMBL12508020 1.00 BTK (0.43) BTKKDM1AMAOBMAOANFKB1
SCHEMBL764528 1.00 BTK (0.43) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084799 0.87 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084801 0.87 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084798 0.87 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL15078163 0.87 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084796 0.87 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL10015599 0.87 BTK (0.43) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084797 0.87 BTK (0.46) BTKKDM1AMAOBMAOANFKB1
SCHEMBL31084800 0.87 BTK (0.46) BTKKDM1AMAOBMAOANFKB1

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
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
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