SCHEMBL19847825

SCHEMBL19847825

Cc1ccc(OCC2CCN(C(=O)c3cc4c(cc3F)OCC(=O)N4)CC2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 15/20 0.67
▸ 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
▸ HTR1A P08908 3/20 0.43
▸ HTR1D P28221 3/20 0.43
▸ HTR1B P28222 3/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL19834079 0.93 MGLL (0.57) MGLLGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19833803 0.92 MGLL (0.79) MGLLHTR1AHTR1DHTR1B
SCHEMBL19833732 0.89 MGLL (0.63) MGLLHTR1AHTR1DHTR1BADRB1
SCHEMBL19833920 0.89 MGLL (0.68) MGLLHTR1AHTR1DHTR1BADRB1
SCHEMBL19834013 0.89 MGLL (0.68) MGLLHTR1AHTR1DHTR1BADRB1
SCHEMBL19833785 0.89 MGLL (0.65) MGLLHTR1AHTR1DHTR1BADRB1
SCHEMBL19834150 0.88 MGLL (0.78) MGLLHTR1AHTR1DHTR1BALDH1A1
SCHEMBL19833871 0.87 MGLL (0.79) MGLLHTR1AHTR1DHTR1B
SCHEMBL19833983 0.87 MGLL (0.81) MGLLGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19971776 0.86 MGLL (0.58) MGLLHTR1AHTR1DHTR1BADRB1

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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