SCHEMBL7995377

SCHEMBL7995377

Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(NC(=O)OC(C)(C)C)cc3)C(=O)O2)s1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.65
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63

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
SCHEMBL4956620 0.90 F10 (0.77) F10
SCHEMBL12649398 0.90 F10 (0.77) F10
SCHEMBL77619 0.83 F10 (0.73) F10
SCHEMBL4960100 0.80 F10 (0.72) F10
SCHEMBL9288947 0.80 F10 (0.72) F10
SCHEMBL13262575 0.80 F10 (0.60) F10
SCHEMBL4957741 0.80 RORC (0.49) F10
SCHEMBL4283606 0.79 F10 (0.71) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20802077 0.79 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13262557 0.79 F10 (0.75) F10

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