SCHEMBL29848628

SCHEMBL29848628

CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3CCS(=O)(=O)F)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 1.00
CNR1 P21554 11/20 1.00

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
SCHEMBL20951876 1.00 CNR2 (1.00) CNR2CNR1
SCHEMBL29848703 0.92 CNR2 (1.00) CNR2CNR1
SCHEMBL19744124 0.92 CNR2 (1.00) CNR2CNR1
SCHEMBL29848586 0.89 CNR2 (1.00) CNR2CNR1
SCHEMBL20951828 0.89 CNR2 (1.00) CNR2CNR1
SCHEMBL29849118 0.88 CNR2 (0.79) CNR2CNR1
SCHEMBL19743389 0.88 CNR2 (0.79) CNR2CNR1
SCHEMBL14911837 0.87 CNR2 (0.87) CNR2CNR1
SCHEMBL29848585 0.87 CNR2 (1.00) CNR2CNR1
SCHEMBL19743370 0.87 CNR2 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093418-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-23 CN claimed
CN-115073476-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-20 CN claimed
CN-115093418-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-23 CN disclosed
CN-115073476-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-20 CN disclosed