SCHEMBL21189873

SCHEMBL21189873

CC(=N)N(C)c1ccc(C(O)Nc2cc(O)c(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.60
KLKB1 P03952 2/20 0.46
KCNH2 Q12809 4/20 0.45
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
F2 P00734 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
SCHEMBL21189934 0.86 F10 (0.77) F10KLKB1KCNH2F2
SCHEMBL21189874 0.85 F10 (0.60) F10KLKB1KCNH2NPC1ALOX15
SCHEMBL21189829 0.84 F10 (0.54) F10KLKB1KCNH2NPC1ALOX15
SCHEMBL2431818 0.76 F10 (0.87) F10KLKB1KCNH2
SCHEMBL2431134 0.75 F10 (1.00) F10KLKB1KCNH2F2
SCHEMBL2436147 0.73 F10 (0.72) F10KLKB1KCNH2
SCHEMBL12326434 0.73 F10 (0.79) F10KLKB1KCNH2
SCHEMBL21319613 0.73 F10 (0.76) F10KLKB1KCNH2
SCHEMBL19129013 0.73 F10 (0.81) F10KLKB1KCNH2F2
SCHEMBL21319602 0.72 F10 (0.58) F10KLKB1KCNH2F2

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-2019143273-A1 NOVEL AMIDINE INHIBITORS OF FACTOR XA ООО "ФармаДиол" 2019-07-25 WO disclosed