SCHEMBL18315519

SCHEMBL18315519

O=C(O)N1CCC2(CC1)CN(C(=O)c1ccc3[nH]nnc3c1)C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 17/20 0.54
ATXN2 Q99700 17/20 0.54
GPR183 P32249 3/20 0.46

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
SCHEMBL18315520 0.95 ENPP2 (0.54) ENPP2ATXN2GPR183
SCHEMBL18315513 0.95 ENPP2 (0.54) ENPP2ATXN2GPR183
SCHEMBL18315573 0.95 ENPP2 (0.51) ENPP2ATXN2GPR183
SCHEMBL18315562 0.93 ENPP2 (0.51) ENPP2ATXN2GPR183
SCHEMBL18315578 0.91 ENPP2 (0.51) ENPP2ATXN2
SCHEMBL18315524 0.91 ENPP2 (0.51) ENPP2ATXN2
SCHEMBL15585092 0.87 ENPP2 (0.73) ENPP2ATXN2GPR183
SCHEMBL18421944 0.86 ENPP2 (0.47) ENPP2ATXN2
Hydrochloric Acid SCHEMBL15551300 0.85 ENPP2 (0.47) ENPP2ATXN2
SCHEMBL15552414 0.83 ATXN2 (0.76) ENPP2ATXN2

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