SCHEMBL14878471

SCHEMBL14878471

COCCOC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccc4c(c3)CCCC4)nc2)[C@@H](C(N)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 11/20 0.41
▸ OPRD1 P41143 11/20 0.41
▸ OPRK1 P41145 9/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.41
▸ MMP1 P03956 3/20 0.41
▸ MMP3 P08254 3/20 0.41
▸ MMP7 P09237 3/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39

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
SCHEMBL12905513 0.92 MMP1 (0.40) OPRM1OPRD1OPRK1HRH3MMP1
SCHEMBL328486 0.91 MMP1 (0.53) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14878482 0.87 MMP1 (0.43) HRH3MMP1MMP3MMP7MMP9
SCHEMBL12905512 0.80 MMP1 (0.42) HRH3MMP1MMP3MMP7MMP9
SCHEMBL778953 0.78 MMP1 (0.55) MMP1MMP3MMP7MMP9MMP13
SCHEMBL328467 0.77 MMP1 (0.50) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14878483 0.75 F2R (0.41) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14878466 0.74 MMP1 (0.44) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14878456 0.73 MMP1 (0.43) MMP1MMP3MMP7MMP9MMP13
SCHEMBL14878464 0.72 MMP9 (0.43) MMP1MMP3MMP7MMP9MMP13

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
US-8426415-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-04-23 — — US disclosed
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