SCHEMBL9050374

SCHEMBL9050374

O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCc1cc2ccccc2o1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 8/20 0.64
ADAM10 O14672 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL9047283 0.94 PREP (0.59) PREPADAM10MMP1MMP2MMP3
SCHEMBL9047773 0.91 PREP (0.60) PREPADAM10MMP1MMP2MMP3
SCHEMBL9047776 0.91 PREP (0.60) PREPADAM10MMP1MMP2MMP3
SCHEMBL9048765 0.90 PREP (0.76) PREPADAM10MMP1MMP2MMP3
SCHEMBL9046249 0.86 PREP (0.64) PREPADAM10MMP1MMP2MMP3
SCHEMBL9047456 0.85 PREP (0.63) PREP
SCHEMBL9046539 0.83 PREP (0.55) PREPADAM10MMP1MMP2MMP3
SCHEMBL9046528 0.83 PREP (0.55) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050121 0.82 PREP (0.59) PREPADAM10MMP1MMP2MMP3
SCHEMBL9050127 0.82 PREP (0.59) PREPADAM10MMP1MMP2MMP3

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-0536399-B1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-01-24 EP disclosed
EP-0536399-A1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed