SCHEMBL8892987

SCHEMBL8892987

COC(=O)COc1cccc(Br)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.42
MAPK8 P45983 1/20 0.41
POLB P06746 1/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
LMNA P02545 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
SCHEMBL31637815 0.84 HTR7 (0.55) HTR7SMN1; SMN2MAPK8POLBCHRNB2
SCHEMBL23291726 0.84 HTR7 (0.55) HTR7SMN1; SMN2MAPK8POLBCHRNB2
SCHEMBL28524909 0.83 HTR7 (0.47) HTR7SMN1; SMN2TSHRMAPK8POLB
SCHEMBL31637967 0.83 HTR7 (0.54) HTR7SMN1; SMN2TSHRMAPK8CHRNB2
SCHEMBL3804347 0.81 KMT2A (0.50) HTR7SMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL11848310 0.81 L3MBTL1 (0.49) SMN1; SMN2MAPK8POLBCXCR1CXCR2
SCHEMBL28904516 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPK8POLBCXCR1CXCR2
SCHEMBL31638063 0.80 HTR7 (0.43) HTR7SMN1; SMN2TSHRMAPK8CHRNB2
SCHEMBL29160233 0.79 OGG1 (0.50) HTR7SMN1; SMN2TSHRMAPK8KDM4E
SCHEMBL7783634 0.79 HTR7 (0.43) HTR7SMN1; SMN2MAPK8KDM4EALDH1A1

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
EP-4271674-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
WO-2022225914-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-10-27 WO disclosed
US-5614634-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5440044-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed