SCHEMBL14065595

SCHEMBL14065595

CB(O)N1CC[C@@H](C(=O)O)[C@@H](c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ CHRNA7 P36544 1/20 0.41
▸ BACE1 P56817 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.38
▸ CHRM2 P08172 4/20 0.37
▸ CHRM4 P08173 4/20 0.37
▸ CHRM5 P08912 4/20 0.37
▸ CHRM1 P11229 4/20 0.37
▸ CHRM3 P20309 4/20 0.37

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
SCHEMBL14065597 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CHRNA7BACE1
SCHEMBL12592377 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRNA7BACE1
SCHEMBL13473846 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRNA7BACE1
SCHEMBL12592372 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRNA7BACE1
SCHEMBL14371524 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CHRNA7BACE1
SCHEMBL13671200 0.87 MEN1 (0.42) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL13041171 0.87 MEN1 (0.42) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL14065598 0.83 MAPT (0.54) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL14065593 0.83 MAPT (0.54) SLC6A2SLC6A4SLC6A3CHRM2CHRM4
SCHEMBL14376312 0.83 MAPT (0.54) SLC6A2SLC6A4SLC6A3CHRM2CHRM4

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 4 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
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 — — US disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 — — US disclosed
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