SCHEMBL8524378

SCHEMBL8524378

CCCN(N1CCCC1)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA14 Q9ULX7 1/20 0.37
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
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 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
SCHEMBL4720133 0.67 HRH3 (0.31)
SCHEMBL4592326 0.66 CHRM2 (0.38) CA1CA2CHRM2CHRM4CHRM5
SCHEMBL1206197 0.66 HRH3 (0.33)
SCHEMBL4723758 0.66 HRH3 (0.30)
SCHEMBL4720625 0.64
Water SCHEMBL27996121 0.64
SCHEMBL4592057 0.64 CHRM2 (0.37) CA1CA2CHRM2CHRM4CHRM5
SCHEMBL3816997 0.64 HRH3 (0.33)
SCHEMBL3585120 0.64 HRH3 (0.33)
SCHEMBL7689470 0.64 HRH3 (0.30)

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
EP-0927161-A1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-07-07 EP disclosed
WO-1998008815-A1 SUBSTITUTED CYCLIC AMINE METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 WO disclosed