SCHEMBL18315571

SCHEMBL18315571

O=C(O)N1CCC2(CC1)CN(S(=O)(=O)c1ccc3[nH]c(=O)oc3c1)C2

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATXN2 Q99700 6/20 0.68
ENPP2 Q13822 5/20 0.68
ALPL P05186 1/20 0.61
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
CYP2C19 P33261 1/20 0.56
TSHR P16473 1/20 0.55
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
NUDT15 Q9NV35 1/20 0.53
TP53 P04637 2/20 0.48
USP9X Q93008 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL18422072 0.83 ALPL (0.64) ATXN2ENPP2ALPLKMT2AMEN1
SCHEMBL21313825 0.82 ALPL (0.62) ATXN2ENPP2ALPLKMT2AMEN1
Hydrochloric Acid SCHEMBL16616243 0.82 ALPL (0.62) ATXN2ENPP2ALPLKMT2AMEN1
SCHEMBL15540234 0.81 ENPP2 (1.00) ATXN2ENPP2
SCHEMBL23122311 0.80 ATXN2 (0.50) ATXN2ENPP2CYP2C19
SCHEMBL18315538 0.79 ENPP2 (0.61) ATXN2ENPP2KMT2AMEN1TSHR
SCHEMBL15584191 0.79 ENPP2 (0.67) ATXN2ENPP2NUDT15
SCHEMBL15541318 0.77 ENPP2 (1.00) ATXN2ENPP2
SCHEMBL18315557 0.77 ATXN2 (0.68) ATXN2ENPP2TSHR
SCHEMBL26434400 0.76 ALPL (0.68) ALPLKMT2AMEN1CYP2C19TSHR

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
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP claimed