SCHEMBL8379231

SCHEMBL8379231

CC(=O)N1CCC(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
NOTUM Q6P988 6/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PER2 O15055 2/20 0.32
HSD17B3 P37058 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL17491127 0.83 PIK3CD (0.41) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL9634771 0.81 PIK3CD (0.40) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL30589105 0.79 PIK3CD (0.39) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL21946000 0.78 NOTUM (0.33) NOTUMMAPK1
SCHEMBL5964524 0.77 NOTUM (0.33) NOTUMMAPK1
SCHEMBL532345 0.76 PIK3CD (0.37) PIK3CDCHRM2CHRM4CHRM5CHRM1
SCHEMBL24530170 0.75 GAA (0.41) PIK3CDMAPK1
SCHEMBL8276850 0.74 PDE4A (0.44) CHRM2CHRM1CHRM3
SCHEMBL14927315 0.74 PDE4A (0.44) CHRM2CHRM1CHRM3
SCHEMBL625914 0.74 PDE4A (0.44) CHRM2CHRM1CHRM3

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
EP-0739880-B1 Process for the preparation of amido peroxycarboxylic acids CLARIANT GMBH (DE) 1999-03-31 EP disclosed
US-5648521-A DECYCLIZATION, OXIDATION HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed
EP-0739880-A2 Process for the preparation of amido peroxycarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 EP disclosed