SCHEMBL19847832

SCHEMBL19847832

C=C(c1ccc2c(c1)NC(=O)CO2)N1CCC(F)(COc2ccc(F)cc2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 6/20 0.61
▸ NR3C2 P08235 7/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NR3C1 P04150 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 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
SCHEMBL19833935 0.91 MGLL (0.73) MGLLNR3C2ALDH1A1MAPTNR3C1
SCHEMBL19847833 0.80 MGLL (0.51) MGLLNR3C2
SCHEMBL19833774 0.76 MGLL (0.56) MGLLNR3C2
SCHEMBL19834081 0.76 MGLL (1.00) MGLLNR3C2NR3C1PGR
SCHEMBL19833719 0.75 MGLL (0.84) MGLLNR3C2NR3C1PGR
SCHEMBL19833992 0.74 MGLL (0.57) MGLLNR3C2
SCHEMBL19833805 0.74 MGLL (0.57) MGLLNR3C2
SCHEMBL22386265 0.73 MGLL (0.70) MGLLNR3C2
SCHEMBL21723014 0.73 MGLL (0.47) MGLLALDH1A1
SCHEMBL19847847 0.72 MGLL (0.62) MGLLNR3C2

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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