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Sugi Predict / Compounds / SCHEMBL19743697

SCHEMBL19743697

SCHEMBL19743697

C#Cc1cccc(S(=O)(=O)F)c1Cn1nnc2c(N3CCC(F)(F)C3)nc(C(C)(C)C)nc21.C[Si](C)(C)C#Cc1cccc(S(=O)(=O)F)c1CBr

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 0.84
▸ CNR1 P21554 9/20 0.84

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
SCHEMBL19744012 0.92 CNR2 (1.00) CNR2CNR1
SCHEMBL19743945 0.82 CNR2 (0.78) CNR2CNR1
SCHEMBL19743295 0.78 CNR2 (1.00) CNR2CNR1
SCHEMBL29848586 0.78 CNR2 (1.00) CNR2CNR1
SCHEMBL20951828 0.78 CNR2 (1.00) CNR2CNR1
SCHEMBL20964400 0.77 CNR2 (0.83) CNR2CNR1
SCHEMBL20952014 0.77 CNR2 (1.00) CNR2CNR1
SCHEMBL14911824 0.76 CNR2 (0.70) CNR2CNR1
SCHEMBL14911437 0.73 CNR2 (0.66) CNR2CNR1
SCHEMBL14911837 0.73 CNR2 (0.87) CNR2CNR1

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-3475282-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR H. Hoffnabb-La Roche Ag (CH) 2019-05-01 — — EP disclosed
WO-2017220517-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 — — WO disclosed