SCHEMBL8811085

SCHEMBL8811085

CC(C)(C)OC(=O)ON1CCC[C@H](O)[C@H](N)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
EPHX1 P07099 1/20 0.31
CTSK P43235 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8124000 1.00 HSD17B10 (0.33) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL4435193 0.83 CHRM2 (0.33) CHRM2CHRM1CHRM3
SCHEMBL4440743 0.77 CTSK (0.33) MEN1ALDH1A1MAPTKMT2ACA1
SCHEMBL6487921 0.77 MEN1 (0.51) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL6928427 0.77 MEN1 (0.51) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL2316321 0.75 CA1 (0.41) HSD17B10MEN1ALDH1A1MAPTKMT2A
SCHEMBL7294008 0.75 NR1H2 (0.42) MEN1ALDH1A1MAPTKMT2ACA1
SCHEMBL14763728 0.75 CHRM2 (0.40) MEN1ALDH1A1MAPTKMT2ACA1
SCHEMBL7284763 0.75 CHRM2 (0.40) MEN1ALDH1A1MAPTKMT2ACA1
SCHEMBL8329981 0.74 CHRM2 (0.37) HPGDCHRM2CHRM1CHRM3CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802190-A1 Process and intermediates for preparing azepines F. HOFFMANN-LA ROCHE AG (CH) 1997-10-22 EP claimed
EP-0802190-A1 Process and intermediates for preparing azepines F. HOFFMANN-LA ROCHE AG (CH) 1997-10-22 EP disclosed