SCHEMBL27739028

SCHEMBL27739028

O=C(NN1CCNCC1)c1cn(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.54
CNR2 P34972 7/20 0.54
PTGS2 P35354 1/20 0.46

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
SCHEMBL3679902 0.90 CNR1 (0.66) CNR1CNR2
SCHEMBL5807509 0.80 CNR1 (0.81) CNR1CNR2
SCHEMBL27609514 0.80 CNR1 (0.70) CNR1CNR2
SCHEMBL4436286 0.79 PTGS2 (0.54) CNR1CNR2PTGS2
Hydrochloric Acid SCHEMBL27591195 0.79 CNR1 (0.79) CNR1CNR2
SCHEMBL3687254 0.79 CNR1 (0.85) CNR1CNR2
SCHEMBL28750940 0.79 CNR1 (0.66) CNR1CNR2
SCHEMBL6333578 0.77 CNR1 (0.55) CNR1CNR2PTGS2
SCHEMBL5080838 0.77 CNR1 (0.57) CNR1CNR2
Hydrochloric Acid SCHEMBL6334805 0.76 CNR1 (0.56) CNR1CNR2

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
CN-101431994-A Use of CBx cannabinoid receptor modulators as potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN disclosed