SCHEMBL29926322

SCHEMBL29926322

CCC(C(=O)O)N1CCNCCNCCNCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
OPRD1 P41143 12/20 0.41
OPRM1 P35372 5/20 0.38
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRK1 P41145 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
SCHEMBL6423819 0.98 SIGMAR1 (0.41) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL7590414 0.98 SIGMAR1 (0.43) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL1494478 0.98 SIGMAR1 (0.43) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL28404227 0.96 SIGMAR1 (0.42) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL1607970 0.92 OPRD1 (0.41) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL29926143 0.85 SIGMAR1 (0.47) SIGMAR1SLC6A4SLC6A2CHRM3SLC6A3
SCHEMBL2910332 0.84 OPRD1 (0.38) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL27667325 0.84 SIGMAR1 (0.44) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL8310688 0.84 SIGMAR1 (0.41) SIGMAR1OPRD1OPRM1SLC6A4SLC6A2
SCHEMBL3102765 0.83

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583926-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
EP-4511379-A2 THERANOSTIC SILICON-FLUORIDE HETEROAROMATIC SYSTEMS AND METHODS THEREOF Fuzionaire Theranostics, Inc. (US) 2025-02-26 EP disclosed
WO-2024052550-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4308551-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2024-01-24 EP disclosed
WO-2023205755-A2 THERANOSTIC SILICON-FLUORIDE HETEROAROMATIC SYSTEMS AND METHODS THEREOF FUZIONAIRE DIAGNOSTICS, INC. (US) 2023-10-26 WO disclosed
CN-115243729-A Macrocyclic chelates and their use 融合制药公司 2022-10-25 CN disclosed
WO-2022194777-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2022-09-22 WO disclosed