SCHEMBL29734577

SCHEMBL29734577

O=C1COc2ccc(C(=O)N3CCC(c4n[nH]c5cc(F)ccc45)CC3)cc2N1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
NR3C2 P08235 16/20 0.50
NR3C1 P04150 10/20 0.50
PGR P06401 3/20 0.49
LMNA P02545 1/20 0.44
RBP4 P02753 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
SCHEMBL22491353 1.00 MGLL (0.56) MGLLNR3C2NR3C1PGRLMNA
SCHEMBL29734574 0.89 NR3C2 (0.49) MGLLNR3C2NR3C1LMNA
SCHEMBL22491346 0.89 NR3C2 (0.49) MGLLNR3C2NR3C1LMNA
SCHEMBL22491458 0.84 MGLL (0.56) MGLLNR3C2NR3C1PGR
SCHEMBL29734537 0.84 MGLL (0.56) MGLLNR3C2NR3C1PGR
SCHEMBL22491572 0.83 MGLL (0.57) MGLLNR3C2NR3C1PGR
SCHEMBL29734607 0.83 MGLL (0.57) MGLLNR3C2NR3C1PGR
SCHEMBL22491514 0.83 MGLL (0.56) MGLLNR3C2NR3C1PGR
SCHEMBL29734583 0.83 MGLL (0.56) MGLLNR3C2NR3C1PGR
SCHEMBL22773216 0.81 MGLL (0.53) MGLLNR3C2NR3C1PGRLMNA

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