SCHEMBL7345908

SCHEMBL7345908

NN=CNCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.55
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
MMP3 P08254 1/20 0.43
BCHE P06276 1/20 0.43
MMP7 P09237 1/20 0.43

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
SCHEMBL7345887 0.91 F2 (0.62) F2MMP2MMP9
SCHEMBL6971414 0.87 F2 (0.57) F2
SCHEMBL7350482 0.87 F2 (0.57) F2
SCHEMBL7335493 0.86 F2 (0.64) F2
SCHEMBL7342636 0.86 F2 (0.64) F2
SCHEMBL7341634 0.83 F2 (0.59) F2
SCHEMBL7340279 0.83 F2 (0.59) F2
SCHEMBL7342278 0.81 F2 (0.67) F2
SCHEMBL7342103 0.81 F2 (0.67) F2
SCHEMBL7309132 0.78 F2 (0.58) F2

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
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP claimed