SCHEMBL30745971

SCHEMBL30745971

O=C(NC1(c2ccc(-c3ccc(F)cc3)cc2)CC1)O[C@H]1CN2CCC1CC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.51
CHRM2 P08172 6/20 0.51
CHRM1 P11229 6/20 0.51
NTMT1 Q9BV86 2/20 0.50
UGCG Q16739 1/20 0.50
CHRNA7 P36544 4/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL16007049 1.00 CHRM3 (0.51) CHRM3CHRM2CHRM1NTMT1UGCG
SCHEMBL16007046 1.00 CHRM3 (0.51) CHRM3CHRM2CHRM1NTMT1UGCG
SCHEMBL16007093 0.92 CHRM3 (0.42) CHRM3CHRM2CHRM1NTMT1UGCG
SCHEMBL29415407 0.90 CHRM2 (0.51) CHRM3CHRM2CHRM1NTMT1UGCG
SCHEMBL16007179 0.90 CHRNA7 (0.59) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL31613798 0.89 CHRM3 (0.52) CHRM3CHRM2CHRM1NTMT1UGCG
SCHEMBL29356569 0.89 CHRM3 (0.55) CHRM3CHRM2CHRM1NTMT1UGCG
SCHEMBL16007010 0.88 CHRM2 (0.45) CHRM3CHRM2CHRM1NTMT1UGCG
SCHEMBL16007009 0.88 CHRM2 (0.45) CHRM3CHRM2CHRM1NTMT1UGCG
SCHEMBL29356578 0.87 NTMT1 (0.52) CHRM3CHRM2CHRM1NTMT1CHRNA7

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-3267983-B1 METHODS FOR TREATING PROTEINOPATHIES GENZYME CORP (US) 2023-12-20 EP disclosed