SCHEMBL29734474

SCHEMBL29734474

O=C1COc2ccc(C(=O)N3CCC([C@@H](c4ccc(F)cc4)c4ccc(OCCOCCF)cc4)CC3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.54
▸ NR3C2 P08235 13/20 0.45
▸ NR3C1 P04150 9/20 0.45
▸ PGR P06401 3/20 0.45
▸ MAPT P10636 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL29734473 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491402 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491367 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL29734515 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491370 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491341 0.96 MGLL (0.56) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL29734397 0.96 MGLL (0.56) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491416 0.96 MGLL (0.56) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491384 0.96 MGLL (0.56) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491338 0.94 MGLL (0.49) MGLLNR3C2NR3C1PGRMAPT

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-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
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