SCHEMBL24038367

SCHEMBL24038367

C#CCN(C)CCNC(=O)CCCCc1ccc(Cc2ccccc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.40
F13A1 P00488 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
ACKR3 P25106 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL24897432 0.99 SLC5A1 (0.43) SLC5A1ALDH1A1LMNAHTTTSHR
SCHEMBL24897513 0.97 SLC5A1 (0.46) SLC5A1ALDH1A1LMNAHTTTSHR
SCHEMBL24030100 0.89 SLC5A1 (0.50) SLC5A1ALDH1A1SLC6A5HPGDSMN1; SMN2
SCHEMBL24897408 0.88 MAOB (0.48) SLC5A1LMNAHPGDMAOAMAOB
SCHEMBL24897649 0.87 ALDH1A1 (0.40) SLC5A1ALDH1A1LMNAHTTACKR3
SCHEMBL24897614 0.87 MAOB (0.47) SLC5A1LMNAHPGDSMN1; SMN2MAOB
SCHEMBL24029745 0.86 SLC5A1 (0.52) SLC5A1ALDH1A1MAOAMAOB
SCHEMBL24897593 0.85 HDAC1 (0.40) SLC5A1ALDH1A1LMNAHTTACKR3
SCHEMBL24038308 0.84 LTA4H (0.47) SLC5A1TSHRMAOB
SCHEMBL24037955 0.84 LMNA (0.36) SLC5A1ALDH1A1LMNAHTTACKR3

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