SCHEMBL28672148

SCHEMBL28672148

O=[SH](=O)c1ccccc1Cn1nnc2c(N3CC[C@H](O)C3)nc(C(F)(F)c3ccccc3)nc21

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.76
CNR1 P21554 6/20 0.76

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
SCHEMBL25428856 0.88 CNR2 (0.74) CNR2CNR1
SCHEMBL20952146 0.86 CNR2 (0.82) CNR2CNR1
SCHEMBL19743361 0.86 CNR2 (1.00) CNR2CNR1
SCHEMBL25437955 0.84 CNR2 (0.75) CNR2CNR1
SCHEMBL19744178 0.83 CNR2 (0.80) CNR2CNR1
SCHEMBL19744187 0.80 CNR2 (0.70) CNR2CNR1
SCHEMBL19744189 0.80 CNR2 (0.70) CNR2CNR1
SCHEMBL19744032 0.80 CNR2 (0.69) CNR2CNR1
SCHEMBL20952078 0.80 CNR2 (0.69) CNR2CNR1
SCHEMBL19743351 0.80 CNR2 (0.69) 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 5 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
CN-113943297-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 2022-01-18 CN disclosed