SCHEMBL8334926

SCHEMBL8334926

CCOC(=O)[C@H](Cc1nc(C)c(-c2ccccc2)o1)NC(=O)C1(C[C@@H](CCOC)C(=O)OC(C)(C)C)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 16/20 0.58
▸ NPPA P01160 7/20 0.58
▸ MMP1 P03956 3/20 0.35
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34

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
SCHEMBL6806867 0.92 MME (0.64) MMENPPAMMP1ITGB1ITGA4
SCHEMBL6806869 0.92 MME (0.64) MMENPPAMMP1ITGB1ITGA4
SCHEMBL8331455 0.85 MME (0.73) MMENPPAMMP1ITGB1ITGA4
SCHEMBL8324967 0.83 MME (0.63) MMENPPAMMP1
SCHEMBL6807892 0.80 MME (0.55) MMENPPA
SCHEMBL6807888 0.80 MME (0.55) MMENPPA
SCHEMBL8275076 0.80 MME (0.56) MMENPPAMMP1
SCHEMBL8337080 0.78 MME (0.39) MMENPPAMMP1ITGB1ITGA4
SCHEMBL6259877 0.77 MME (0.59) MMENPPAMMP1
SCHEMBL6807209 0.77 MME (0.57) MMENPPAMMP1ITGB1ITGA4

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
WO-2004056787-A1 CYCLOPENTYL GLUTARAMIDES AND THEIR USE AS NEUTRAL ENDOPEPTIDASE INHIBITORS PFIZER LIMITED (GB) 2004-07-08 — — WO disclosed
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