SCHEMBL27166233

SCHEMBL27166233

CCOc1ccc(CC2CNCCNCCNCCN2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
LTA4H P09960 1/20 0.53
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.43
NQO1 P15559 1/20 0.41
ACACB O00763 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27166279 0.89 HRH3 (0.66) HRH3LTA4HMAOAMAOBMEN1
SCHEMBL27166299 0.88 HRH3 (0.59) HRH3LTA4HMAOAMAOBHTT
SCHEMBL27166283 0.87 HRH3 (0.58) HRH3LTA4HMAOAMAOBHTT
SCHEMBL27166248 0.87 HRH3 (0.58) HRH3LTA4HMAOAMAOBHTT
SCHEMBL27280958 0.83 HRH3 (0.55) HRH3LTA4HMAOATDP1MEN1
SCHEMBL27154978 0.82 LTA4H (0.64) HRH3LTA4HMAOAMAOBLMNA
SCHEMBL27150044 0.82 LTA4H (0.64) HRH3LTA4HMAOAMAOBLMNA
SCHEMBL8192012 0.82 LTA4H (0.64) HRH3LTA4HMAOAMAOBLMNA
SCHEMBL8200343 0.82 LTA4H (0.64) HRH3LTA4HMAOAMAOBLMNA
SCHEMBL31549544 0.82 HRH3 (0.50) HRH3LTA4HACACBALDH1A1LMNA

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