SCHEMBL457321

SCHEMBL457321

CC(C)(C)OC(=O)N[C@H]1CN(C(=O)O)C[C@@H]1c1cc(Cl)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.42
KDM4D Q6B0I6 2/20 0.40
KDM1A O60341 2/20 0.39
USP30 Q70CQ3 3/20 0.39
MAOB P27338 2/20 0.38
CCR1 P32246 1/20 0.37
FPR1 P21462 4/20 0.36
ACLY P53396 1/20 0.36
MAOA P21397 1/20 0.36
FPR2 P25090 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL470579 0.92 PDE4B (0.51) PDE4BKDM4DKDM1AUSP30
SCHEMBL462446 0.92 PDE4B (0.51) PDE4BKDM4DKDM1AUSP30
SCHEMBL463402 0.84 PDE4B (0.50) PDE4BKDM4DKDM1AUSP30FPR1
SCHEMBL463400 0.84 PDE4B (0.50) PDE4BKDM4DKDM1AUSP30FPR1
SCHEMBL463401 0.84 PDE4B (0.50) PDE4BKDM4DKDM1AUSP30FPR1
SCHEMBL461989 0.76 KMT2A (0.44) PDE4BKDM4DKDM1AMAOBFPR1
SCHEMBL461990 0.76 KMT2A (0.44) PDE4BKDM4DKDM1AMAOBFPR1
SCHEMBL147672 0.75 KMT2A (0.48)
SCHEMBL147670 0.75 KMT2A (0.48)
SCHEMBL147671 0.75 KMT2A (0.48)

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed