SCHEMBL27166279

SCHEMBL27166279

CCCCOc1ccc(C[C@H]2CNCCNCCNCCN2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.66
LTA4H P09960 1/20 0.51
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4A O75164 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL27166233 0.89 HRH3 (0.58) HRH3LTA4HMAOAMAOBKMT2A
SCHEMBL27166299 0.88 HRH3 (0.59) HRH3LTA4HMAOAMAOBPOLB
SCHEMBL27166283 0.87 HRH3 (0.58) HRH3LTA4HMAOAMAOBPOLB
SCHEMBL27166248 0.87 HRH3 (0.58) HRH3LTA4HMAOAMAOBPOLB
SCHEMBL28312589 0.86 HRH3 (0.52) HRH3MAOAMAOBPOLBKMT2A
SCHEMBL27166281 0.84 HRH3 (0.58) HRH3LTA4HMAOAMAOB
SCHEMBL27166232 0.84 HRH3 (0.58) HRH3LTA4HMAOAMAOB
SCHEMBL27268715 0.84 HRH3 (0.58) HRH3LTA4HMAOAMAOB
SCHEMBL27280958 0.81 HRH3 (0.55) HRH3LTA4HMAOAKMT2AMEN1
SCHEMBL8200343 0.80 LTA4H (0.64) HRH3LTA4HMAOAMAOBBCHE

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