SCHEMBL7904177

SCHEMBL7904177

N=C1NCc2cc(NC(=O)C(O)[C@H]3OCCN(c4ccc(Cl)cc4)C3=O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.52
F10 P00742 7/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL1947714 1.00 F9 (0.52) F9F10HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL1949066 0.99 F9 (0.51) F9F10HDAC1HDAC8HDAC6
SCHEMBL12545885 0.92 F9 (0.63) F9F10
SCHEMBL1947668 0.92 F9 (0.53) F9
Hydrochloric Acid SCHEMBL1946720 0.91 F9 (0.52) F9
SCHEMBL1947399 0.91 F9 (0.56) F9F10
SCHEMBL1945952 0.90 F9 (0.56) F9F10
Hydrochloric Acid SCHEMBL1950569 0.90 F9 (0.55) F9F10
SCHEMBL1950302 0.90 F9 (0.57) F9
SCHEMBL2537083 0.90 F9 (0.51) F9

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-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed