SCHEMBL9680576

SCHEMBL9680576

CN1C(C)(C)CC(OC(=O)C(Cl)Cl)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 3/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11473446 0.85 CYP2D6 (0.40) CYP2D6LMNATSHRKMT2ANFKB1
SCHEMBL31328 0.85 CYP2D6 (0.40) CYP2D6LMNATSHRKMT2ANFKB1
SCHEMBL13297030 0.84 CYP2D6 (0.39) CYP2D6LMNATSHRKMT2ANFKB1
SCHEMBL25142267 0.82 CYP2D6 (0.38) CYP2D6LMNATSHRKMT2ANFKB1
SCHEMBL25475351 0.81 CYP2D6 (0.37) CYP2D6LMNATSHRKMT2ANFKB1
SCHEMBL23871042 0.81 CYP2D6 (0.37) CYP2D6LMNATSHRKMT2ANFKB1
SCHEMBL7756837 0.79 TSHR (0.36) CYP2D6LMNATSHRKMT2ANFKB1
SCHEMBL24117468 0.79 CYP2D6 (0.36) CYP2D6LMNATSHRKMT2ANFKB1
SCHEMBL11463228 0.79 CYP2D6 (0.36) CYP2D6LMNATSHRKMT2ANFKB1
SCHEMBL6714702 0.79 TSHR (0.37) CYP2D6LMNATSHRKMT2ANFKB1

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-0518807-A1 Piperidine compounds for use as stabilisers for organic materials CIBA-GEIGY AG (CH) 1992-12-16 EP disclosed