SCHEMBL6280043

SCHEMBL6280043

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(CC3CCN(C(=N)N)C3)Cc3ccccc32)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
F10 P00742 5/20 0.33
F2 P00734 4/20 0.33
PRSS1 P07477 4/20 0.33
HTR7 P34969 3/20 0.32
HTR1A P08908 2/20 0.32
PLG P00747 2/20 0.32
PROC P04070 1/20 0.32
CHRM2 P08172 6/20 0.31
CHRM4 P08173 6/20 0.31
CHRM5 P08912 6/20 0.31
CHRM1 P11229 6/20 0.31
CHRM3 P20309 6/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31

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
SCHEMBL7414236 0.85 F10 (0.40) F10F2PRSS1PLGPROC
SCHEMBL7413979 0.85 TSHR (0.33) F10F2PRSS1
SCHEMBL6275854 0.82 F10 (0.49) HDAC6HDAC4HDAC1HDAC7HDAC2
SCHEMBL6275985 0.80 F10 (0.42) HDAC6HDAC4HDAC1HDAC7HDAC2
SCHEMBL7413647 0.80 F10 (0.42) F10F2PRSS1PLGPROC
SCHEMBL7411753 0.79 F2 (0.33) F10F2PRSS1PLGPROC
SCHEMBL6280998 0.78 F10 (0.48) HDAC6HDAC4HDAC1HDAC7HDAC2
SCHEMBL6283322 0.78 HDAC6 (0.34) HDAC6HDAC4HDAC1HDAC7HDAC2
SCHEMBL7410177 0.71 F10 (0.41) F10F2PRSS1PLGPROC
SCHEMBL7516860 0.71 F10 (0.42) F10F2PRSS1PLGPROC

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
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US claimed