SCHEMBL21163395

SCHEMBL21163395

CN1C(C)(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)N(O)C(C)(C)C3)CC(C(=O)OC3CC(C)(C)N(O)C(C)(C)C3)C2)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21163573 0.93 GAA (0.46) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL9397367 0.93 TSHR (0.34) GAAHTTCYP2D6LMNATSHR
SCHEMBL19976794 0.90 HTT (0.42) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL21163423 0.89 GAA (0.37) GAAHTTCYP2D6
SCHEMBL21162877 0.87 GAA (0.43) GAAHTTCYP2D6LMNAL3MBTL1
SCHEMBL21162891 0.87 TSHR (0.33) GAAHTTCYP2D6LMNATSHR
SCHEMBL21163571 0.84 GAA (0.42) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL21163058 0.84 GAA (0.42) GAAHTTL3MBTL1TSHRKMT2A
SCHEMBL21163071 0.83 GAA (0.39) GAAHTTCYP2D6LMNA
SCHEMBL1535623 0.83 GAA (0.46) GAAHTTCYP2D6LMNAL3MBTL1

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
US-10975305-B2 Piperidine derivative, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2021-04-13 US disclosed
US-20190194542-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-06-27 US disclosed