SCHEMBL29952336

SCHEMBL29952336

CN(CCC=O)CC(=O)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAOA P21397 1/20 0.40
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL29952699 0.84 KMT2A (0.43) LMNAMAOAKMT2AHPGDALDH1A1
SCHEMBL10132083 0.82 MAOA (0.47) LMNAMAOAKMT2AHPGDALDH1A1
SCHEMBL10132042 0.78 MAOA (0.40) LMNAMAOAKMT2AHPGDALDH1A1
SCHEMBL29953331 0.77 ALDH1A1 (0.33) LMNAHPGDALDH1A1
SCHEMBL854305 0.75 MAOA (0.42) MAOAALDH1A1MAPTGAASMN1; SMN2
SCHEMBL854306 0.75 MAOA (0.42) MAOAALDH1A1MAPTGAASMN1; SMN2
SCHEMBL10132028 0.74 ALDH1A1 (0.40) MAOAKMT2AHPGDALDH1A1MAPT
SCHEMBL4191188 0.74 MAOA (0.47) LMNAMAOAKMT2AHPGDALDH1A1
SCHEMBL29952363 0.74 MCL1 (0.34) HPGDALDH1A1
SCHEMBL29955601 0.72 TSHR (0.35) LMNAKMT2AHPGDALDH1A1MEN1

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