SCHEMBL7997701

SCHEMBL7997701

CN1C=NN(c2ccc(N3C[C@H](CNC(=O)C4CC=C(Cl)S4)OC3=O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.45
MAOA P21397 1/20 0.42
F2 P00734 2/20 0.42
ABCB11 O95342 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42

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
SCHEMBL7994144 0.89 F10 (0.43) F10F2ABCB11ST14
SCHEMBL8000437 0.83 F10 (0.47) F10F2ABCB11ST14
SCHEMBL7994083 0.83 F10 (0.45) F10MAOAF2ABCB11ST14
SCHEMBL7992863 0.83 F10 (0.44) F10F2ABCB11ST14
SCHEMBL4761190 0.82 F10 (0.69) F10F2ABCB11ST14
SCHEMBL8001812 0.81 F10 (0.47) F10F2ABCB11ST14
SCHEMBL7996553 0.81 F10 (0.44) F10MAOAF2ABCB11ST14
SCHEMBL7995877 0.81 F10 (0.45) F10F2ABCB11ST14
SCHEMBL7983038 0.81 F10 (0.48) F10F2ABCB11ST14
SCHEMBL7988853 0.81 F10 (0.49) F10F2ABCB11ST14

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-2010002115-A2 FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2010-01-07 WO disclosed