SCHEMBL23544237

SCHEMBL23544237

COc1ccc(CN(N)c2nc(OCC(C)(C)C)nc(N3CCC(F)(F)C3)c2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.49
FFAR2 O15552 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
SCHEMBL20611080 0.85 CNR2 (0.45) CNR2FFAR2
SCHEMBL20611078 0.82 CNR2 (0.49) CNR2
SCHEMBL20610979 0.81 CNR2 (0.57) CNR2FFAR2
SCHEMBL23544262 0.80 CNR2 (0.60) CNR2
SCHEMBL20611053 0.76 CNR2 (0.61) CNR2
SCHEMBL16554716 0.74 CNR2 (0.73) CNR2
SCHEMBL18755682 0.70 CNR2 (0.42) CNR2
SCHEMBL20610961 0.70 CNR2 (0.58) CNR2
SCHEMBL20611131 0.68 CNR2 (0.59) CNR2
SCHEMBL23544251 0.68 CNR2 (0.60) CNR2

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-3483163-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS CB2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2021-06-23 EP disclosed