SCHEMBL14065593

SCHEMBL14065593

CCOC(=O)[C@@H]1CCN(B(C)O)C[C@H]1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ CHRM2 P08172 4/20 0.47
▸ CHRM4 P08173 4/20 0.47
▸ CHRM5 P08912 4/20 0.47
▸ CHRM1 P11229 4/20 0.47
▸ CHRM3 P20309 4/20 0.47
▸ SLC6A3 Q01959 3/20 0.46
▸ SLC18A2 Q05940 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14065598 1.00 MAPT (0.54) MAPTPKMCHRM2CHRM4CHRM5
SCHEMBL14376312 1.00 MAPT (0.54) MAPTPKMCHRM2CHRM4CHRM5
SCHEMBL13473844 0.91 SLC6A3 (0.53) MAPTPKMCHRM2CHRM4CHRM5
SCHEMBL14376322 0.91 SLC6A3 (0.53) MAPTPKMCHRM2CHRM4CHRM5
SCHEMBL13473847 0.91 SLC6A3 (0.53) MAPTPKMCHRM2CHRM4CHRM5
SCHEMBL12592383 0.91 SLC6A3 (0.53) MAPTPKMCHRM2CHRM4CHRM5
SCHEMBL14065597 0.83 SLC6A2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14065595 0.83 SLC6A2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4094243 0.83 SLC6A3 (0.59) MAPTPKMSLC6A3SLC18A2SLC6A2
SCHEMBL12701406 0.78 MAPT (0.38) MAPTALDH1A1TSHRSMN1; SMN2

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
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 — — US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
Send feedback