SCHEMBL14376322

SCHEMBL14376322

CCOC(=O)C1CN(B(C)O)CCC1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.53
▸ SLC18A2 Q05940 3/20 0.53
▸ CHRM2 P08172 5/20 0.52
▸ CHRM4 P08173 5/20 0.52
▸ CHRM5 P08912 5/20 0.52
▸ CHRM1 P11229 5/20 0.52
▸ CHRM3 P20309 5/20 0.52
▸ SLC6A2 P23975 2/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ ADRA1D P25100 4/20 0.46
▸ ADRA1A P35348 4/20 0.46
▸ ADRA1B P35368 3/20 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
SCHEMBL12592383 1.00 SLC6A3 (0.53) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL13473847 1.00 SLC6A3 (0.53) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL13473844 1.00 SLC6A3 (0.53) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL14065598 0.91 MAPT (0.54) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL14376312 0.91 MAPT (0.54) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL14065593 0.91 MAPT (0.54) SLC6A3SLC18A2CHRM2CHRM4CHRM5
SCHEMBL14371524 0.83 SLC6A2 (0.49) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12592377 0.83 SLC6A2 (0.49) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL12592372 0.83 SLC6A2 (0.49) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13473846 0.83 SLC6A2 (0.49) SLC6A3CHRM2CHRM4CHRM5CHRM1

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-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 — — US disclosed
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