SCHEMBL27166238

SCHEMBL27166238

CCOCCOCCOc1ccc(C[C@H]2CNCCNCCNCCN2)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
LTA4H P09960 1/20 0.36
NCF1 P14598 2/20 0.33
CHRNA3 P32297 3/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA7 P36544 1/20 0.32

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 0.83 HRH3 (0.58) HRH3LTA4HMAOAMAOB
SCHEMBL27166283 0.83 HRH3 (0.58) HRH3LTA4HMAOAMAOB
SCHEMBL27166299 0.82 HRH3 (0.59) HRH3LTA4HNCF1MAOAMAOB
SCHEMBL27166232 0.74 HRH3 (0.58) HRH3LTA4HMAOAMAOB
SCHEMBL27166281 0.74 HRH3 (0.58) HRH3LTA4HMAOAMAOB
SCHEMBL27268715 0.74 HRH3 (0.58) HRH3LTA4HMAOAMAOB
SCHEMBL14117415 0.71 NCF1 (0.45) HRH3NCF1
SCHEMBL27166279 0.70 HRH3 (0.66) HRH3LTA4HMAOAMAOB
SCHEMBL27166233 0.70 HRH3 (0.58) HRH3LTA4HMAOAMAOB
SCHEMBL11384767 0.69 NCF1 (0.43) HRH3NCF1

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