SCHEMBL29417698

SCHEMBL29417698

O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC2(CCCN2Cc2cccc(N3CC4CCC(C3)O4)c2Cl)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.55
PLA2G7 Q13093 1/20 0.55
ABHD6 Q9BV23 1/20 0.55

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
SCHEMBL19582357 1.00 MGLL (0.55) MGLLPLA2G7ABHD6
SCHEMBL19601899 0.92 MGLL (0.47) MGLLPLA2G7ABHD6
SCHEMBL19582672 0.91 MGLL (0.55) MGLL
SCHEMBL29417681 0.91 MGLL (0.55) MGLL
SCHEMBL19582629 0.90 MGLL (0.55) MGLL
SCHEMBL19582326 0.89 MGLL (0.62) MGLL
SCHEMBL19582311 0.88 MGLL (0.61) MGLL
SCHEMBL19582486 0.88 MGLL (0.60) MGLL
SCHEMBL19582297 0.87 MGLL (0.73) MGLLPLA2G7ABHD6
SCHEMBL29417770 0.87 MGLL (0.73) MGLLPLA2G7ABHD6

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