SCHEMBL29680819

SCHEMBL29680819

Clc1ccc(Br)cc1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
HTR2A P28223 2/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 1/20 0.37
PYCR1 P32322 1/20 0.36
CCR5 P51681 3/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
P2RX7 Q99572 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPK1 P28482 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
SCHEMBL844672 1.00 SLC6A4 (0.39) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
Alcohol SCHEMBL1097067 0.90 ALDH1A1 (0.40) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL155606 0.81 SLC6A4 (0.39) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL30345107 0.81 PYCR1 (0.47) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL307792 0.81 PYCR1 (0.47) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL500031 0.80 SLC6A4 (0.37) SLC6A4HTR2AKCNH2ALDH1A1CCR5
SCHEMBL43286 0.79 GABRA1 (0.44) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL1758977 0.79 CCR5 (0.49) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL154181 0.79 PTGDR2 (0.44) SLC6A4HTR2AKCNH2ALDH1A1PYCR1
SCHEMBL16036319 0.79 SLC6A4 (0.38) SLC6A4HTR2AKCNH2ALDH1A1PYCR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332882-B Synthesis process of key intermediate of englitz 江苏阿尔法集团福瑞药业(宿迁)有限公司 2025-03-18 CN disclosed
CN-116332882-B Synthesis process of key intermediate of englitz 江苏阿尔法集团福瑞药业(宿迁)有限公司 2025-03-18 CN disclosed
CN-116332733-B Dapagliflozin middle Synthesis process of intermediate 江苏阿尔法药业股份有限公司 2025-02-11 CN disclosed
EP-4341255-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2024-03-27 EP disclosed
CN-117402081-A Aryl substituted amine derivative, preparation method and application thereof 南京医科大学 2024-01-16 CN disclosed
CN-117355517-A Macrocyclic glucagon-like peptide 1 receptor agonists 伊莱利利公司 2024-01-05 CN disclosed
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
CN-116332882-A Synthesis process of key intermediate of englitz 江苏福瑞康泰药业有限公司 2023-06-27 CN disclosed
CN-116332882-A Synthesis process of key intermediate of englitz 江苏福瑞康泰药业有限公司 2023-06-27 CN disclosed
CN-116332733-A Synthesis process of dapagliflozin intermediate 江苏阿尔法药业股份有限公司 2023-06-27 CN disclosed
WO-2022246019-A1 MACROCYCLIC GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2022-11-24 WO disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed