SCHEMBL6155966

SCHEMBL6155966

O=C(O)n1nnc2ccc(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.49
MGAM O43451 10/20 0.49
AMY1A P0DUB6 10/20 0.49
SI P14410 10/20 0.49
MGAM2 Q2M2H8 10/20 0.49
KMT2A Q03164 3/20 0.49
KCNMA1 Q12791 3/20 0.47
F2 P00734 2/20 0.42
HPGD P15428 1/20 0.42
SLC9A1 P19634 1/20 0.42
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.37
KMO O15229 1/20 0.37
DAO P14920 1/20 0.37
F12 P00748 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL19911626 0.85 KMT2A (0.48) GAAMGAMAMY1ASIMGAM2
SCHEMBL19911632 0.82 KMT2A (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL7646751 0.81 GAA (0.44) GAAMGAMAMY1ASIMGAM2
SCHEMBL7232454 0.79 HCAR3 (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL27380658 0.79 KMO (0.57) GAAMGAMAMY1ASIMGAM2
SCHEMBL7239851 0.77 MGAM (0.41) GAAMGAMAMY1ASIMGAM2
SCHEMBL170673 0.74 GAA (0.71) GAAMGAMAMY1ASIMGAM2
SCHEMBL17103034 0.74 POLB (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL3840404 0.73 GAA (0.69) GAAMGAMAMY1ASIMGAM2
Hydrochloric Acid SCHEMBL10363645 0.73 GAA (0.69) GAAMGAMAMY1ASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed