SCHEMBL9047775

SCHEMBL9047775

O=C(Nc1ccccc1Sc1ccccc1)OC1CN2CCC1CC2

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.68
CHRM2 P08172 2/20 0.68
CHRM1 P11229 2/20 0.68
CHRNA7 P36544 4/20 0.66
GAA P10253 1/20 0.66
ATM Q13315 1/20 0.66
BCHE P06276 1/20 0.66
ACHE P22303 1/20 0.66
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 1/20 0.53

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
Hydrochloric Acid SCHEMBL9048981 0.99 CHRM3 (0.67) CHRM3CHRM2CHRM1CHRNA7GAA
SCHEMBL9049295 0.81 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRNA7GAA
SCHEMBL372135 0.80 CHRNA7 (1.00) CHRM3CHRM2CHRM1CHRNA7GAA
SCHEMBL373197 0.80 CHRNA7 (1.00) CHRM3CHRM2CHRM1CHRNA7GAA
SCHEMBL372949 0.80 CHRNA7 (1.00) CHRM3CHRM2CHRM1CHRNA7GAA
Hydrochloric Acid SCHEMBL9050386 0.80 CHRM3 (0.98) CHRM3CHRM2CHRM1CHRNA7GAA
SCHEMBL7360364 0.80 GAA (0.73) CHRM3CHRM2CHRM1CHRNA7GAA
SCHEMBL12604472 0.80 GAA (0.73) CHRM3CHRM2CHRM1CHRNA7GAA
SCHEMBL12614417 0.80 GAA (0.73) CHRM3CHRM2CHRM1CHRNA7GAA
SCHEMBL12604471 0.80 GAA (1.00) CHRM3CHRM2CHRM1CHRNA7GAA

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-0747355-A1 NOVEL CARBAMATE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-11 EP disclosed