SCHEMBL29956007

SCHEMBL29956007

CN(CC(=O)NC1CC1)c1ccccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL29956614 0.83 LMNA (0.43) MAOAKMT2AMEN1SMN1; SMN2
SCHEMBL2561856 0.81 OPRM1 (0.41) KMT2AMEN1SMN1; SMN2TSHRGAA
SCHEMBL29952270 0.81 TSHR (0.51) MAOAKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL29957679 0.78 NOTUM (0.39) KMT2AMEN1SMN1; SMN2TSHROPRM1
SCHEMBL29952559 0.77 MAOA (0.43) MAOAKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL2559106 0.77 MEN1 (0.45) KMT2AMEN1SMN1; SMN2GAA
SCHEMBL29953800 0.76 MAPT (0.40) MAOAKMT2AMEN1TSHRGAA
SCHEMBL2553177 0.76 TSHR (0.43) KMT2AMEN1TSHRL3MBTL1
SCHEMBL29952930 0.76 ALDH1A1 (0.45) MAOAKMT2AGAA
SCHEMBL29951768 0.76 MAOA (0.39) MAOAKMT2AMEN1TSHRGAA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed