SCHEMBL21359511

SCHEMBL21359511

CC(=O)Nc1nc(F)c(CN2CC[C@H](CCc3ncc(F)cn3)C2)s1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OGA O60502 18/20 0.42
OPRK1 P41145 1/20 0.41
ADRA2B P18089 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL21359303 0.91 OGA (0.46) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21370137 0.91 OGA (0.46) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL24862858 0.91 OGA (0.46) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21370313 0.85 OGA (0.53) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL28568842 0.85 OGA (0.53) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21359584 0.85 OGA (0.58) OGAOPRK1
SCHEMBL28569974 0.81 OGA (0.37) OGAOPRK1
SCHEMBL21369465 0.81 OGA (0.37) OGAOPRK1
SCHEMBL21369606 0.80 OGA (0.42) OGAOPRK1
SCHEMBL21359460 0.80 OGA (0.39) OGAOPRK1ADRA2BSLC6A4SLC6A3

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-3765458-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2021-01-20 EP disclosed
WO-2019178191-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2019-09-19 WO disclosed