SCHEMBL29976707

SCHEMBL29976707

COc1ccc(CBr)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.46
HTR2A P28223 5/20 0.46
KCNH2 Q12809 3/20 0.46
HTR1A P08908 1/20 0.43
APLNR P35414 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL473882 1.00 SLC6A4 (0.46) SLC6A4HTR2AKCNH2HTR1AAPLNR
SCHEMBL474102 0.84 HTR2A (0.46) SLC6A4HTR2AKCNH2HTR1AMEN1
SCHEMBL11530709 0.82 RELA (0.48) MEN1KMT2AALDH1A1KDM4E
SCHEMBL11530716 0.82 RELA (0.48) MEN1KMT2AALDH1A1KDM4E
SCHEMBL4519124 0.82 KDM4E (0.37) SLC6A4HTR2AKCNH2HTR1AMEN1
SCHEMBL4510419 0.82 ALDH1A1 (0.53) SLC6A4HTR2AKCNH2HTR1AAPLNR
SCHEMBL8340513 0.82 SLC6A4 (0.47) SLC6A4HTR2AKCNH2HTR1AAPLNR
SCHEMBL2060421 0.81 HTR2A (0.47) HTR2AAPLNRCA12CA1CA2
SCHEMBL1391304 0.81 NQO1 (0.46) MEN1KMT2AALDH1A1KDM4E
SCHEMBL3719649 0.81 EPHX2 (0.42) SLC6A4HTR2AHTR1AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119343339-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-01-21 CN disclosed
EP-4469444-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2024-12-04 EP disclosed
WO-2023138684-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO , INC. (US) 2023-07-27 WO disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed