SCHEMBL8723002

SCHEMBL8723002

CC(=O)N(c1ccc(N)cc1)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1.[Gd]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.38
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.34
S1PR1 P21453 1/20 0.34
DRD4 P21917 1/20 0.34
CASP6 P55212 1/20 0.33
GFER P55789 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RAD52 P43351 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 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
SCHEMBL4581596 0.99 SLC6A9 (0.39) SLC6A9HSD17B10LMNAMAPTS1PR1
SCHEMBL8722452 0.92 MAPT (0.37) SLC6A9HSD17B10LMNAMAPTS1PR1
SCHEMBL8723014 0.85 MAPT (0.36) LMNAMAPTDRD4CASP6GFER
SCHEMBL8722456 0.84 RAD52 (0.37) LMNAMAPTCASP6GFERALDH1A1
Hydrochloric Acid SCHEMBL8719317 0.83 RAD52 (0.36) LMNAMAPTCASP6GFERALDH1A1
Hydrochloric Acid SCHEMBL8722394 0.81 SLC6A9 (0.30) SLC6A9
SCHEMBL8723022 0.80 CASP6 (0.33) MAPTCASP6GFERALDH1A1
SCHEMBL6320212 0.80 LMNA (0.44) HSD17B10LMNAMAPTCASP6GFER
SCHEMBL4581605 0.79 MAPT (0.42) LMNAMAPTALDH1A1
Tetraxetan SCHEMBL861961 0.79 SLC6A9 (0.49) SLC6A9HSD17B10LMNAMAPTS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814849-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO International B.V. (NL) 1998-01-07 EP disclosed