SCHEMBL8722943

SCHEMBL8722943

CC[C@H](C)[C@H](N)C(=O)CC(=O)N(c1ccc(N)cc1)N1CCN(CC(=O)OC)CCN(CC(=O)OC)CCN(CC(=O)OC)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 3/20 0.32
DPP7 Q9UHL4 2/20 0.32
GPR88 Q9GZN0 2/20 0.32
DPP4 P27487 2/20 0.32
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.30
GFER P55789 1/20 0.30
TACR1 P25103 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8722456 0.79 RAD52 (0.37) POLBSMN1; SMN2MAPTRAD52GFER
SCHEMBL8722938 0.78 AAK1 (0.40) POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL8719317 0.78 RAD52 (0.36) POLBSMN1; SMN2MAPTRAD52GFER
SCHEMBL8724171 0.74 RAD52 (0.34) POLBMAPTRAD52GFERALDH1A1
SCHEMBL22471168 0.66 GFER (0.57) SMN1; SMN2MAPTRAD52GFERKDM4E
SCHEMBL8722985 0.65 S1PR1 (0.43) POLBMAPTTACR1KDM4EALDH1A1
SCHEMBL4581596 0.65 SLC6A9 (0.39) MAPTRAD52GFERALDH1A1
SCHEMBL8719295 0.65 POLB (0.47) POLBMAPTKDM4EALDH1A1CYP2C9
SCHEMBL8723002 0.65 SLC6A9 (0.38) MAPTRAD52GFERALDH1A1
SCHEMBL8722452 0.63 MAPT (0.37) POLBSMN1; SMN2MAPTRAD52GFER

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