SCHEMBL9057675

SCHEMBL9057675

O=C(O)N1CCC(N2CCCNC2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
F2 P00734 1/20 0.43
F9 P00740 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
CDA P32320 2/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
NPY5R Q15761 1/20 0.39
TGM2 P21980 1/20 0.38
KMT2A Q03164 1/20 0.34
L3MBTL3 Q96JM7 5/20 0.33
CALCRL Q16602 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
TP53BP1 Q12888 1/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
PDE7A Q13946 1/20 0.32

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
SCHEMBL17977094 0.90 TGM2 (0.44) F10F2F9PLATKLKB1
SCHEMBL29145774 0.83 CDA (0.37) F10F2F9PLATKLKB1
SCHEMBL20986884 0.83 CDA (0.37) F10F2F9PLATKLKB1
SCHEMBL5827421 0.82 CDA (0.44) F10F2F9PLATKLKB1
SCHEMBL3627847 0.80 NPY5R (0.46) F10F2F9PLATKLKB1
SCHEMBL3620191 0.80 NPY5R (0.46) F10F2F9PLATKLKB1
SCHEMBL402931 0.80 NPY5R (0.46) F10F2F9PLATKLKB1
SCHEMBL18115882 0.80 TGM2 (0.40) F10F2F9PLATKLKB1
SCHEMBL18115885 0.80 TGM2 (0.40) F10F2F9PLATKLKB1
SCHEMBL19271812 0.80 CDA (0.42) F10F2F9PLATKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102093285-B Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL 2013-10-16 CN disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed