SCHEMBL19847843

SCHEMBL19847843

C=C(c1cc2c(cn1)OCC(=O)N2)N1CCC(COc2ccc(F)cc2Cl)CC1

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 16/20 0.84
▸ HTR1D P28221 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ NR3C2 P08235 1/20 0.40

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
SCHEMBL19834034 0.91 MGLL (1.00) MGLL
SCHEMBL22386265 0.87 MGLL (0.70) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19847923 0.84 MGLL (0.66) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833803 0.81 MGLL (0.79) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833871 0.81 MGLL (0.79) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19834081 0.81 MGLL (1.00) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19834122 0.81 MGLL (0.81) MGLLHTR1DHTR1AHTR1B
SCHEMBL19847847 0.79 MGLL (0.62) MGLLNR3C2
SCHEMBL19834150 0.79 MGLL (0.78) MGLLHTR1DHTR1AHTR1B
SCHEMBL19834028 0.79 MGLL (1.00) MGLL

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-3279191-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 — — EP disclosed
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