SCHEMBL6955795

SCHEMBL6955795

CNC(=O)CC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.39
MCL1 Q07820 1/20 0.34
CYP2D6 P10635 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL878351 0.82 MAPT (0.51) LMNATSHRMAPTCA12CA1
SCHEMBL229792 0.82 TSHR (0.50) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL19821903 0.80 FAAH (0.38) LMNAMAPTMCL1CA12CA1
SCHEMBL28315849 0.79 LMNA (0.48) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL28875912 0.79 LMNA (0.48) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL18152012 0.79 LMNA (0.48) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL28727541 0.79 LMNA (0.48) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL14508455 0.77 LMNA (0.39) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL1012855 0.77 LMNA (0.46) LMNATSHRMAPTCYP2D6ALDH1A1
SCHEMBL13635623 0.77 LMNA (0.63) LMNATSHRMAPTALDH1A1

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-1074550-B1 Process for the preparation of 3-substituted 4-phenyl-piperidine derivatives CHEMI SPA (IT) 2003-01-29 EP disclosed
US-6444822-B1 ANTIDEPRESSANTS CHEMI S.P.A. (IT) 2002-09-03 US disclosed
EP-1074550-A1 Process for the preparation of 3-substituted 4-phenyl-piperidine derivatives CHEMI S.p.A. (IT) 2001-02-07 EP disclosed