SCHEMBL28128396

SCHEMBL28128396

CC(O)C(N)Cc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.58
TAAR1 Q96RJ0 4/20 0.44
SLC6A2 P23975 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
SLC6A3 Q01959 1/20 0.39
HPGD P15428 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
SCHEMBL13416785 0.83 TRPA1 (0.62) TRPA1TAAR1SLC6A2LOXL2MAOA
SCHEMBL17892900 0.79 TRPA1 (0.57) TRPA1TAAR1SLC6A2LOXL2MAOA
SCHEMBL28702008 0.79 TRPA1 (0.57) TRPA1TAAR1LOXL2MAOAMAOB
SCHEMBL17892897 0.79 TRPA1 (0.57) TRPA1TAAR1SLC6A2LOXL2MAOA
SCHEMBL23752456 0.79 SLC6A2 (0.61) TRPA1TAAR1SLC6A2MAOASLC6A3
SCHEMBL6191623 0.79 SLC6A2 (0.61) TRPA1TAAR1SLC6A2MAOASLC6A3
SCHEMBL8091553 0.79 SLC6A2 (0.61) TRPA1TAAR1SLC6A2MAOASLC6A3
SCHEMBL6193282 0.79 SLC6A2 (0.61) TRPA1TAAR1SLC6A2MAOASLC6A3
SCHEMBL2232612 0.79 SLC6A2 (0.61) TRPA1TAAR1SLC6A2MAOASLC6A3
SCHEMBL29941240 0.79 SLC6A2 (0.61) TRPA1TAAR1SLC6A2MAOASLC6A3

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
CN-104961646-B Mosapride active metabolites, preparation method and uses thereof 沈阳药科大学 2017-02-22 CN claimed
CN-104961646-B Mosapride active metabolites, preparation method and uses thereof 沈阳药科大学 2017-02-22 CN disclosed