SCHEMBL9601555

SCHEMBL9601555

O=C(OC1CN2CCC1CC2)ON1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.55
CHRM2 P08172 5/20 0.55
CHRM1 P11229 5/20 0.55
CHRNA7 P36544 2/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
CHRM4 P08173 2/20 0.51
CHRM5 P08912 2/20 0.51
CACNA1F O60840 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
CACNA1D Q01668 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
SCN5A Q14524 1/20 0.51
KCND3 Q9UK17 1/20 0.51
CYP2D6 P10635 1/20 0.50

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
SCHEMBL9602318 0.80 CHRM3 (0.58) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL9602854 0.80 CHRNA7 (0.50) CHRM3CHRM2CHRM1CHRNA7
SCHEMBL3743481 0.75 CHRM2 (0.71) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL21095684 0.72 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2360215 0.72 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2360214 0.72 CHRM3 (0.61) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1724185 0.72 CHRNA7 (0.62) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL228144 0.72 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL228145 0.72 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRNA7BCHE
SCHEMBL21798510 0.71 NOTUM (0.50)

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-0247266-B1 INDOLE DERIVATIVES HAVING AN AZABICYCLIC SIDE CHAIN, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1993-03-10 EP claimed