SCHEMBL29417682

SCHEMBL29417682

O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC2(CCCN2Cc2ccc(C(F)(F)F)cc2N2CC3CCC(C2)O3)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.73
ABHD6 Q9BV23 2/20 0.73
PLA2G7 Q13093 1/20 0.59

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
SCHEMBL19603383 1.00 MGLL (0.73) MGLLABHD6PLA2G7
SCHEMBL19582557 1.00 MGLL (0.73) MGLLABHD6PLA2G7
SCHEMBL19601701 0.91 MGLL (0.63) MGLLABHD6PLA2G7
SCHEMBL29417770 0.91 MGLL (0.73) MGLLABHD6PLA2G7
SCHEMBL19582297 0.91 MGLL (0.73) MGLLABHD6PLA2G7
SCHEMBL29417750 0.90 MGLL (0.73) MGLLABHD6PLA2G7
SCHEMBL19582727 0.90 MGLL (0.73) MGLLABHD6PLA2G7
SCHEMBL19582295 0.89 MGLL (0.74) MGLL
SCHEMBL29417703 0.89 MGLL (0.74) MGLL
SCHEMBL19582493 0.88 MGLL (0.73) MGLLABHD6PLA2G7

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-109496213-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2022-03-04 CN disclosed