SCHEMBL29734498

SCHEMBL29734498

O=C1COc2ccc(C(=O)N3CCC([C@@H](c4ccccc4)c4ccc(OCCF)cc4)CC3)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ NR3C2 P08235 7/20 0.44
▸ GAA P10253 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ NR3C1 P04150 2/20 0.41
▸ PGR P06401 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CPT2 P23786 1/20 0.41
▸ CPT1A P50416 1/20 0.41
▸ CPT1B Q92523 1/20 0.41
▸ LMNA P02545 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
SCHEMBL22491329 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491569 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL29734402 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491330 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL29734429 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22773214 0.96 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL29734599 0.96 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491392 0.96 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491338 0.96 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491442 0.94 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2

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