SCHEMBL24038262

SCHEMBL24038262

Cc1ccccc1Cc1ccc(CCCC(=O)NCCN2CCN(C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 3/20 0.47
SLC5A2 P31639 3/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRL1 P41146 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 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
SCHEMBL24038314 0.91 HRH3 (0.54) KMT2AMAPTGAAL3MBTL1MEN1
SCHEMBL24897561 0.87 LMNA (0.41) SLC5A1SLC5A2KMT2ALMNAUSP2
SCHEMBL24038347 0.86 ALDH1A1 (0.42) SLC5A1SLC5A2KMT2ALMNAUSP2
SCHEMBL24897667 0.85 ALDH1A1 (0.43) SLC5A1SLC5A2KMT2ALMNAGAA
SCHEMBL24897725 0.84 USP2 (0.44) KMT2ALMNAUSP2MAPTGAA
SCHEMBL24030116 0.81 SLC5A1 (0.47) SLC5A1SLC5A2KMT2AMAPTMEN1
SCHEMBL21028588 0.80 SLC5A1 (0.64) SLC5A1SLC5A2ALDH1A1
SCHEMBL26571956 0.78 SLC5A1 (0.60) SLC5A1SLC5A2
SCHEMBL20802901 0.77 ACKR3 (0.49) SLC5A1KMT2ALMNAGAAL3MBTL1
SCHEMBL24897443 0.77 LTA4H (0.49) KMT2ALMNAUSP2MAPTGAA

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
EP-4119550-A1 ARYL GLUCOSIDE DERIVATIVE AND USE THEREOF IN DRUG Shanghai Zheye Biotechnology Co., Ltd. (CN) 2023-01-18 EP disclosed
WO-2021227441-A1 ARYL GLUCOSIDE DERIVATIVE AND USE THEREOF IN DRUG 上海喆邺生物科技有限公司 2021-11-18 WO disclosed