SCHEMBL21370128

SCHEMBL21370128

CNc1ncc(CN2CCC(C)C(Cc3ncc(F)cn3)C2)s1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OGA O60502 16/20 0.40
ALDH1A1 P00352 1/20 0.39
ACKR3 P25106 1/20 0.37
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 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
SCHEMBL24862806 0.87 OGA (0.56) OGAOPRK1
SCHEMBL21359507 0.87 OGA (0.56) OGAOPRK1
SCHEMBL21359465 0.87 OGA (0.56) OGAOPRK1
SCHEMBL21359496 0.87 OGA (0.56) OGAOPRK1
SCHEMBL21359522 0.87 OGA (0.56) OGAOPRK1
SCHEMBL21370279 0.86 OGA (0.44) OGAALDH1A1ACKR3OPRK1SMN1; SMN2
SCHEMBL21369566 0.86 OGA (0.44) OGAALDH1A1ACKR3OPRK1SMN1; SMN2
SCHEMBL21369448 0.82 OGA (0.52) OGAALDH1A1ACKR3OPRK1SMN1; SMN2
SCHEMBL21370134 0.79 OGA (0.36) OGAALDH1A1OPRK1SMN1; SMN2
SCHEMBL22079713 0.79 OGA (0.38) OGAACKR3OPRK1SMN1; SMN2HTT

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