SCHEMBL7992863

SCHEMBL7992863

CC1=NN(c2ccc(N3C[C@H](CNC(=O)C4CC=C(Cl)S4)OC3=O)cc2)CCN1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.44
MAOB P27338 1/20 0.42
F2 P00734 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCB11 O95342 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41

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 0.84 F10 (0.43) F10F2ABCB11ST14
SCHEMBL7994083 0.83 F10 (0.45) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL7997701 0.83 F10 (0.45) F10F2ABCB11ST14
SCHEMBL4761230 0.82 F10 (0.67) F10F2ABCB11ST14
SCHEMBL7995877 0.81 F10 (0.45) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL7983038 0.81 F10 (0.48) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL7997062 0.79 F10 (0.44) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL7982750 0.78 F10 (0.66) F10F2CYP1A2CYP3A4CYP2D6
SCHEMBL7983045 0.77 F10 (0.44) F10
SCHEMBL13479673 0.77 F10 (0.66) F10MAOBABCB11

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