SCHEMBL28524607

SCHEMBL28524607

CC(C)(C)NC(=O)Oc1cccc(C[C@H](N)CO)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.41
BCHE P06276 4/20 0.41
TAAR1 Q96RJ0 2/20 0.40
SLC7A5 Q01650 3/20 0.38
SCN9A Q15858 1/20 0.37
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36

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
SCHEMBL28101915 1.00 ACHE (0.41) ACHEBCHETAAR1SLC7A5SCN9A
SCHEMBL28101913 0.88 TAAR1 (0.42) ACHEBCHETAAR1SLC7A5
SCHEMBL27765570 0.83 TSHR (0.43) ACHEBCHE
SCHEMBL27605135 0.81 LOXL2 (0.48) ACHEBCHE
SCHEMBL28519082 0.80 MEN1 (0.56) ACHETAAR1SLC7A5ANPEPENPEP
SCHEMBL28519083 0.80 MEN1 (0.56) ACHETAAR1SLC7A5ANPEPENPEP
SCHEMBL20541076 0.79 ACHE (0.43) ACHEBCHE
SCHEMBL28531299 0.78 CTSA (0.39) ACHEBCHE
SCHEMBL29337151 0.75 TAAR1 (0.70) TAAR1
SCHEMBL28244500 0.75 TAAR1 (0.70) TAAR1

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
CN-112437675-A Antibody drug conjugates for ablating hematopoietic stem cells 诺华股份有限公司 2021-03-02 CN disclosed