SCHEMBL7907458

SCHEMBL7907458

CC(=O)O[C@@H](C(=O)Nc1ccc(C)c(F)c1)[C@H]1OCCN(c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.43
SLC2A1 P11166 2/20 0.41
FPR2 P25090 9/20 0.40
FPR1 P21462 6/20 0.40
MAPT P10636 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL1947295 0.89 F9 (0.42) F9FPR2FPR1HDAC1HDAC8
SCHEMBL12546666 0.89 F9 (0.42) F9FPR2FPR1HDAC1HDAC8
SCHEMBL1947290 0.89 F9 (0.42) F9FPR2FPR1HDAC1HDAC8
SCHEMBL12570020 0.87 F9 (0.48) F9FPR2FPR1HDAC1HDAC8
SCHEMBL7905366 0.84 F9 (0.44) F9FPR2FPR1HDAC1HDAC8
SCHEMBL12546579 0.84 F9 (0.44) F9FPR2FPR1HDAC1HDAC8
SCHEMBL12787101 0.82 F9 (0.49) F9FPR2FPR1HDAC1HDAC8
SCHEMBL1950528 0.80 FPR2 (0.41) F9FPR2FPR1
SCHEMBL1950529 0.80 FPR2 (0.41) F9FPR2FPR1
SCHEMBL1949488 0.80 F9 (0.42) F9FPR2FPR1HDAC1HDAC8

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