SCHEMBL2569045

SCHEMBL2569045

CC(C)(NC(=O)Oc1ccc(Cl)s1)C(=O)Nc1ccc2c(c1)CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
SLC2A1 P11166 2/20 0.43
MELK Q14680 6/20 0.41
F10 P00742 3/20 0.41
FLT3 P36888 2/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
MYLK Q15746 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HTR6 P50406 1/20 0.35

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
SCHEMBL2566741 0.85 F10 (0.44) ARF10
SCHEMBL2563178 0.85 F10 (0.41) ARF10
SCHEMBL2569663 0.85 F10 (0.41) ARF10
SCHEMBL2567220 0.84 F10 (0.44) ARF10
SCHEMBL3034870 0.84 AR (0.62) ARSLC2A1MELKF10
SCHEMBL2567658 0.83 F10 (0.44) ARF10
SCHEMBL2569694 0.82 F10 (0.42) ARF10
SCHEMBL2570187 0.82 F10 (0.33) ARF10
SCHEMBL2574252 0.78 F10 (0.42) ARF10
SCHEMBL2568969 0.77 RAB9A (0.36) ARF10HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed