SCHEMBL22386182

SCHEMBL22386182

C=C(c1cc2c(cc1F)OCC(=O)N2)N1CCC(COc2ccc(F)cc2C(=O)OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 14/20 0.56
▸ HTR1D P28221 4/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ HTR1B P28222 3/20 0.42
▸ RBP4 P02753 1/20 0.42
▸ NR3C2 P08235 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR2B P41595 1/20 0.41

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
SCHEMBL19833811 0.92 MGLL (0.62) MGLLHTR1DHTR1AHTR1BRBP4
SCHEMBL19847923 0.83 MGLL (0.66) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL22386265 0.83 MGLL (0.70) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833803 0.80 MGLL (0.79) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19847847 0.80 MGLL (0.62) MGLLNR3C2
SCHEMBL19833781 0.80 MGLL (0.64) MGLLHTR1DHTR1AHTR1BNR3C2
SCHEMBL19833920 0.80 MGLL (0.68) MGLLHTR1DHTR1AHTR1BADRB1
SCHEMBL19833703 0.79 MGLL (0.60) MGLLHTR1DHTR1AHTR1BRBP4
SCHEMBL19833740 0.78 MGLL (0.74) MGLLHTR1DHTR1AHTR1B
SCHEMBL19833833 0.78 MGLL (0.60) MGLLHTR1DHTR1AHTR1BNR3C2

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-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
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