SCHEMBL27166283

SCHEMBL27166283

CCOCCOCCOCCOc1ccc(C[C@H]2CNCCNCCNCCN2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
LTA4H P09960 1/20 0.47
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
HTT P42858 1/20 0.36
EPHX2 P34913 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27166248 1.00 HRH3 (0.58) HRH3LTA4HMAOAMAOBHTT
SCHEMBL27166299 0.99 HRH3 (0.59) HRH3LTA4HMAOAMAOBHTT
SCHEMBL27166232 0.90 HRH3 (0.58) HRH3LTA4HMAOAMAOBKDM4E
SCHEMBL27268715 0.90 HRH3 (0.58) HRH3LTA4HMAOAMAOBKDM4E
SCHEMBL27166281 0.90 HRH3 (0.58) HRH3LTA4HMAOAMAOBKDM4E
SCHEMBL27166279 0.87 HRH3 (0.66) HRH3LTA4HMAOAMAOBKMT2A
SCHEMBL27166233 0.87 HRH3 (0.58) HRH3LTA4HMAOAMAOBHTT
SCHEMBL27166238 0.83 HRH3 (0.41) HRH3LTA4HMAOAMAOB
SCHEMBL27280958 0.77 HRH3 (0.55) HRH3LTA4HMAOAKMT2AMEN1
SCHEMBL8192012 0.75 LTA4H (0.64) HRH3LTA4HMAOAMAOBLMNA

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-4584251-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP disclosed