SCHEMBL30592016

SCHEMBL30592016

NC(=O)C1C(=O)NCC1c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.49
SLC6A3 Q01959 2/20 0.49
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PARP3 Q9Y6F1 1/20 0.44
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL14810578 0.86 SLC6A3 (0.51) F2RL1SLC6A3MEN1HTTKMT2A
SCHEMBL14811014 0.86 SLC6A3 (0.51) F2RL1SLC6A3MEN1HTTKMT2A
SCHEMBL14812210 0.86 SLC6A3 (0.51) F2RL1SLC6A3MEN1HTTKMT2A
SCHEMBL16784599 0.86 SLC6A3 (0.51) F2RL1SLC6A3MEN1HTTKMT2A
SCHEMBL14812149 0.86 SLC6A3 (0.51) F2RL1SLC6A3MEN1HTTKMT2A
SCHEMBL29434443 0.86 SLC6A3 (0.51) F2RL1SLC6A3MEN1HTTKMT2A
SCHEMBL2791362 0.86 SLC6A3 (0.51) F2RL1SLC6A3MEN1HTTKMT2A
SCHEMBL14503577 0.83 SLC6A3 (0.53) F2RL1SLC6A3MEN1HTTKMT2A
SCHEMBL5423927 0.83 F2RL1 (0.55) F2RL1MEN1HTTKMT2APOLB
SCHEMBL28254655 0.80 SLC6A3 (0.41) F2RL1SLC6A3CYP3A4CYP2C9CYP2C19

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-110407730-B Pyrrolidone herbicides FMC 公司 2023-09-08 CN disclosed