SCHEMBL27166281

SCHEMBL27166281

COCCOCCOCCOc1ccc(C[C@@H]2CNCCNCCNCCN2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
LTA4H P09960 1/20 0.47
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
APP P05067 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
REN P00797 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34

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
SCHEMBL27268715 1.00 HRH3 (0.58) HRH3LTA4HSLC6A4KDM4ERECQL
SCHEMBL27166232 1.00 HRH3 (0.58) HRH3LTA4HSLC6A4KDM4ERECQL
SCHEMBL27166283 0.90 HRH3 (0.58) HRH3LTA4HKDM4ERECQLAPP
SCHEMBL27166248 0.90 HRH3 (0.58) HRH3LTA4HKDM4ERECQLAPP
SCHEMBL27166299 0.89 HRH3 (0.59) HRH3LTA4HTDP1RENMAOA
SCHEMBL27166279 0.84 HRH3 (0.66) HRH3LTA4HMAOAMAOB
SCHEMBL27166233 0.81 HRH3 (0.58) HRH3LTA4HTDP1MAOAMAOB
SCHEMBL27280958 0.80 HRH3 (0.55) HRH3LTA4HTDP1MAOA
SCHEMBL5367615 0.78 HRH3 (0.43) HRH3LTA4HSLC6A4KDM4EREN
SCHEMBL23477704 0.75 POLB (0.54) HRH3LTA4H

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