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SCHEMBL4033302

SCHEMBL4033302

O=C(NCCN1CCOCC1)C1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 9/20 0.48
▸ MMP9 P14780 8/20 0.48
▸ MMP13 P45452 7/20 0.48
▸ MMP3 P08254 7/20 0.47
▸ MMP7 P09237 7/20 0.47
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TACR2 P21452 2/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL5634849 0.85 MMP1 (0.52) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5635564 0.84 MMP1 (0.51) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4035027 0.83 L3MBTL1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5634226 0.78 MCHR1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5635556 0.78 MMP1 (0.53) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4038558 0.76 MMP1 (0.51) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5635339 0.75 MMP1 (0.50) MMP1MMP9MMP13MMP3MMP7
SCHEMBL1380921 0.75 MMP1 (0.54) MMP1MMP9MMP13MMP3MMP7
SCHEMBL13886800 0.73 MMP1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5636064 0.72 MCHR1 (0.51) MMP1MMP9MMP13MMP3MMP7

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 — — EP claimed