SCHEMBL7348206

SCHEMBL7348206

CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3C#N)s2)[C@@H](C(=O)NO)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.45
MMP1 P03956 9/20 0.45
MMP7 P09237 9/20 0.45
MMP9 P14780 9/20 0.45
MMP13 P45452 7/20 0.45
ALDH1A1 P00352 1/20 0.40
MMP8 P22894 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7056006 0.85 MMP1 (0.51) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7056754 0.85 MMP1 (0.44) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7058714 0.81 MMP1 (0.46) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7053645 0.80 MMP1 (0.45) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7348210 0.77 MMP1 (0.36) MMP3MMP1MMP7MMP9ALDH1A1
SCHEMBL7053212 0.73 MMP1 (0.50) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7351275 0.71 KCNQ1 (0.34) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7051967 0.71 MMP1 (0.52) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7058112 0.71 ALDH1A1 (0.39) MMP3MMP1MMP7MMP9MMP13
SCHEMBL7122121 0.71 MMP13 (0.52) MMP3MMP1MMP7MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958929-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS SANOFI (FR) 1999-09-28 US claimed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
US-5958929-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS SANOFI (FR) 1999-09-28 US disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 WO disclosed
US-5736548-A CYCLIC GUANOSINE 3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; TREATING HEART FAILURE, HYPERTENSION SANOFI (FR) 1998-04-07 US disclosed