SCHEMBL15028296

SCHEMBL15028296

Cc1cccc(COC(=O)c2ccccc2OC2CCNCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 3/20 0.55
▸ HTR6 P50406 1/20 0.48
▸ HRH1 P35367 3/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP12 P39900 1/20 0.46

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
SCHEMBL15028224 0.87 NMT1 (0.57) NMT1HRH1
SCHEMBL15012535 0.87 NMT1 (0.68) NMT1HRH1MMP2MMP9MMP12
SCHEMBL15028361 0.87 HTR6 (0.55) NMT1HTR6HRH1MMP2MMP9
SCHEMBL15028291 0.86 NMT1 (0.52) NMT1HRH1
SCHEMBL15028221 0.84 NMT1 (0.54) NMT1HRH1
SCHEMBL15028362 0.83 SLC6A2 (0.60) NMT1HRH1
SCHEMBL15028295 0.83 NMT1 (0.57) NMT1HRH1
SCHEMBL15028198 0.81 NMT1 (0.82) NMT1
SCHEMBL8425730 0.79 HTT (0.56) MMP2MMP9MMP12
SCHEMBL15012287 0.78 HRH1 (0.53) NMT1HRH1

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-2013083991-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL INNOVATIONS LIMITED (GB) 2013-06-13 — — WO disclosed
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