SCHEMBL6989733

SCHEMBL6989733

C1CC(COc2nsnc2OC2C3CCC2NC3)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.33
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL6985817 0.95 CHRM1 (0.35) CHRM1
SCHEMBL6987593 0.82 CHRM1 (0.39) CHRM1
SCHEMBL6980912 0.82 CHRM1 (0.39) CHRM1
SCHEMBL6980919 0.81 CHRM1 (0.48) CHRM1
SCHEMBL6988257 0.79 CHRM1 (0.59) CHRM1
SCHEMBL6984398 0.77 ALDH1A1 (0.42) CHRM1
SCHEMBL6981474 0.76 CHRM1 (0.36) CHRM1
SCHEMBL6981312 0.76 CHRM1 (0.43) CHRM1
Hydrochloric Acid SCHEMBL6982175 0.76 CHRM1 (0.33) CHRM1
Hydrochloric Acid SCHEMBL6987919 0.76 ALDH1A1 (0.41) CHRM1

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-1189902-B1 7-OXO-2-AZABICYCLO[2.2.1]HEPTANES AS SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST LILLY CO ELI (US) 2003-08-27 EP claimed