SCHEMBL19847862

SCHEMBL19847862

O=C1COc2ccc(C(=O)N3CCC(COc4cccc(O)c4)CC3)cc2N1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.64
▸ HTR1A P08908 2/20 0.51
▸ HTR1D P28221 2/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ NR3C2 P08235 5/20 0.46
▸ USP30 Q70CQ3 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL19833748 0.91 MGLL (0.68) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833814 0.89 MGLL (0.62) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19834035 0.88 MGLL (0.63) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19834108 0.88 MGLL (0.63) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833821 0.88 MGLL (0.64) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19834021 0.86 MGLL (0.72) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833718 0.85 MGLL (0.71) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833973 0.85 MGLL (0.65) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19847892 0.84 MGLL (0.75) MGLLHTR1AHTR1DHTR1BNR3C2
SCHEMBL19833706 0.83 MGLL (0.73) MGLLHTR1AHTR1DHTR1BNR3C2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279191-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
EP-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — EP disclosed
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