SCHEMBL8724498

SCHEMBL8724498

COC(=O)CN1CCN(CC(=O)OC)CCN(N(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)Cc2ccc(N)cc2)CCN(CC(=O)OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.36
GFER P55789 1/20 0.36
OPRK1 P41145 2/20 0.36
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
ENPP2 Q13822 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPIB P23284 2/20 0.32
CYP2D6 P10635 1/20 0.32
PPIA P62937 1/20 0.32
PPID Q08752 1/20 0.32
PPIG Q13427 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
SCHEMBL8724171 0.79 RAD52 (0.34) RAD52GFERALDH1A1PPIB
SCHEMBL8724174 0.70 POLB (0.42) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8722456 0.67 RAD52 (0.37) RAD52GFERALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8719317 0.66 RAD52 (0.36) RAD52GFERALDH1A1KDM4ESMN1; SMN2
SCHEMBL22471168 0.65 GFER (0.57) RAD52GFERALDH1A1KDM4ESMN1; SMN2
SCHEMBL19431544 0.62 ITGB3 (0.47) SIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1161121 0.62 CYP4F2 (0.63) GFERALDH1A1KDM4ESMN1; SMN2
SCHEMBL12459656 0.62 PPIB (0.47) OPRK1ALDH1A1PPIBPPIAPPID
SCHEMBL8719295 0.62 POLB (0.47) ALDH1A1KDM4E
SCHEMBL20199820 0.62 ALDH1A1 (0.44) GFERSIGMAR1ALDH1A1KDM4ESMN1; SMN2

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