SCHEMBL4772277

SCHEMBL4772277

O=C(O)N1CCCCCC1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DPP4 P27487 3/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
FAP Q12884 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CHRM2 P08172 5/20 0.34
CHRM4 P08173 5/20 0.34
CHRM5 P08912 5/20 0.34
CHRM1 P11229 5/20 0.34
CHRM3 P20309 5/20 0.34
CES2 O00748 1/20 0.33

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
SCHEMBL74963 0.98 HPGD (0.37) HPGDALDH1A1TSHRHTTGAA
SCHEMBL18639814 0.98 HPGD (0.37) HPGDALDH1A1TSHRHTTGAA
SCHEMBL560075 0.91
SCHEMBL4028231 0.81 HPGD (0.38) HPGDALDH1A1TSHRHTTGAA
SCHEMBL2354161 0.80
SCHEMBL10808899 0.77 CHRM2 (0.46) HPGDGAACHRM2CHRM4CHRM5
SCHEMBL5329524 0.77 HPGD (0.36) HPGDALDH1A1TSHRHTTGAA
SCHEMBL4598253 0.77 EPHX1 (0.37) HPGDHTTGAACA12CA1
SCHEMBL21874335 0.76 ACE (0.49)
SCHEMBL3791081 0.76 ACE (0.49)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed