SCHEMBL9404302

SCHEMBL9404302

O=C(ON1CCC=C(c2nc(C3CCC3)no2)C1)C(=O)ON1CCC=C(c2nc(C3CCC3)no2)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.43
CHRM4 P08173 9/20 0.43
CHRM5 P08912 9/20 0.43
CHRM1 P11229 9/20 0.43
CHRM3 P20309 9/20 0.43
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL9404512 0.98 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9704120 0.95 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9404432 0.80 CHRM2 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10420361 0.79 CHRM2 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
Oxalic Acid SCHEMBL9404304 0.78 CHRM2 (0.68) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10419461 0.76 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702340 0.76 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9702274 0.75 SMN1; SMN2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24434415 0.75 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24434492 0.75 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356912-A 3-(5-isoxazolyl)-1-methyl-1,2,3,6-tetrahydropyridine useful for treating Alzheimer's disease NOVO NORDISK A/S (DK) 1994-10-18 US disclosed
US-5262427-A Cognition activators for Alzheimer*s disease NOVO NORDISK A/S (DK) 1993-11-16 US disclosed
EP-0316718-B1 AZACYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-09-15 EP disclosed