SCHEMBL25430985

SCHEMBL25430985

CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(Cc3ccccc3[SH](=O)=O)c2n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.75
CNR1 P21554 11/20 0.75

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
SCHEMBL25427834 0.90 CNR2 (0.77) CNR2CNR1
SCHEMBL25437955 0.89 CNR2 (0.75) CNR2CNR1
SCHEMBL14911537 0.86 CNR2 (0.76) CNR2CNR1
SCHEMBL20951897 0.86 CNR2 (0.78) CNR2CNR1
SCHEMBL14911501 0.86 CNR2 (0.80) CNR2CNR1
SCHEMBL14911837 0.86 CNR2 (0.87) CNR2CNR1
SCHEMBL20951828 0.86 CNR2 (1.00) CNR2CNR1
SCHEMBL29848586 0.86 CNR2 (1.00) CNR2CNR1
SCHEMBL29848693 0.86 CNR2 (0.75) CNR2CNR1
SCHEMBL14911688 0.86 CNR2 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475282-B1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN LA ROCHE (CH) 2023-08-09 EP claimed