SCHEMBL29808366

SCHEMBL29808366

O=C(O)COC(=O)CN1CCNCCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 5/20 0.36
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.32
SLC6A9 P48067 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
SCHEMBL31365998 0.85 SIGMAR1 (0.43) CHRM5CHRM3HSD17B10SIGMAR1
SCHEMBL30821481 0.84 CHRM5 (0.34) CHRM5CHRM3SIGMAR1
SCHEMBL472213 0.84 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL29299554 0.84 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL306395 0.84 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL8038178 0.82 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1ALDH1A1
SCHEMBL6537424 0.82 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL5550813 0.82 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL10567168 0.82 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
Hydrochloric Acid SCHEMBL28968883 0.82 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277663-A1 ACTIVE DELIVERY OF RADIOTRACERS ACROSS THE BLOOD BRAIN BARRIER The Board of Trustees of the Leland Stanford Junior University (US) 2023-11-22 EP disclosed
WO-2023057034-A1 FIBRONECTIN-BINDING PEPTIDES FOR USE IN TUMOR OR FIBROSIS DIAGNOSIS AND THERAPY ETH Zürich (CH) 2023-04-13 WO disclosed
WO-2022155499-A1 ACTIVE DELIVERY OF RADIOTRACERS ACROSS THE BLOOD BRAIN BARRIER THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-07-21 WO disclosed