SCHEMBL7715517

SCHEMBL7715517

CC[C@@](Cc1ccc(Nc2nc(C(F)(F)F)cc3ccccc23)cc1)(Nc1c(N2[C@H](C)CC[C@@H]2C)c(=O)c1=O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC2A1 P11166 1/20 0.32
PDE4B Q07343 1/20 0.31
CNR2 P34972 1/20 0.31
NPY5R Q15761 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7716161 0.90 MAPT (0.36) MEN1MAPTKMT2ANPSR1PDE4B
SCHEMBL7715514 0.81 MEN1 (0.32) MEN1MAPTKMT2ANPSR1
SCHEMBL7715511 0.80 ELANE (0.37) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL7715515 0.80 ELANE (0.37) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL7715530 0.79 ACP1 (0.32) PDE4B
SCHEMBL7716478 0.76 KDM4E (0.33) MEN1MAPTKMT2ASLC2A1ALDH1A1
SCHEMBL7715504 0.71 ITGB1 (0.41)
SCHEMBL7715509 0.71 ITGB1 (0.41)
SCHEMBL7715506 0.71 ITGB1 (0.41)
SCHEMBL7718454 0.71 ITGB1 (0.42)

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
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed