SCHEMBL4540435

SCHEMBL4540435

CC(C)(C)OC(=O)ON1CCN(C2CCN(CCF)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
KCNA3 P22001 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL309857 0.79 HPGD (0.45) SMN1; SMN2ALDH1A1ACACBACACA
SCHEMBL4658596 0.78 CHRM2 (0.33) HRH3
SCHEMBL4716959 0.78 DRD2 (0.38)
SCHEMBL16673574 0.77 SIGMAR1 (0.38) HRH3
SCHEMBL16341947 0.74 CHRM1 (0.34)
SCHEMBL4046200 0.74 L3MBTL3 (0.33) SMN1; SMN2
SCHEMBL4720598 0.74 TP53 (0.37) SMN1; SMN2ALDH1A1HRH3
SCHEMBL4067285 0.72 CHRM2 (0.36) HRH3
SCHEMBL4717872 0.72 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL249745 0.71 DRD2 (0.36)

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
WO-2009071691-A2 OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed