SCHEMBL21369451

SCHEMBL21369451

CNc1ncc(CN2CCCC(C(C)c3ncc(F)cn3)C2)s1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGA O60502 12/20 0.46
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
ACKR3 P25106 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
SCHEMBL21369604 0.94 OGA (0.41) OGASMN1; SMN2ALDH1A1ACKR3
SCHEMBL28569607 0.87 OGA (0.62) OGAOPRK1
SCHEMBL21369450 0.87 OGA (0.62) OGAOPRK1
SCHEMBL28564128 0.87 OGA (0.62) OGAOPRK1
SCHEMBL21370125 0.87 OGA (0.62) OGAOPRK1
SCHEMBL21370046 0.87 OGA (0.62) OGAOPRK1
SCHEMBL21370129 0.87 OGA (0.62) OGAOPRK1
SCHEMBL21370126 0.87 OGA (0.62) OGAOPRK1
SCHEMBL28568771 0.87 OGA (0.62) OGAOPRK1
SCHEMBL28564126 0.87 OGA (0.62) OGAOPRK1

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-2019178191-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2019-09-19 WO disclosed