SCHEMBL21163380

SCHEMBL21163380

CC1(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)N(O)C(C)(C)C3)C(OC(=O)C3CC(C)(C)N(O)C(C)(C)C3)C2)CC(C)(C)N1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 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
SCHEMBL21163540 0.92 GAA (0.35) GAAHTTKDM4EL3MBTL1
SCHEMBL21163387 0.91 GAA (0.39) GAAHTTKDM4EL3MBTL1CYP2D6
SCHEMBL21163200 0.91 GAA (0.34) GAAHTT
SCHEMBL21163035 0.87 CHRM2 (0.34) CYP2D6CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163056 0.85 GAA (0.32) GAAHTT
SCHEMBL21162846 0.83 GAA (0.34) GAAHTTKDM4EL3MBTL1CHRM2
SCHEMBL21162851 0.83 GAA (0.36) GAAHTTL3MBTL1
SCHEMBL21163547 0.83 GAA (0.36) GAAHTTL3MBTL1
SCHEMBL21163520 0.82 GAA (0.33) GAAHTTL3MBTL1CHRM2CHRM4
SCHEMBL21163573 0.81 GAA (0.46) GAAHTTKDM4EL3MBTL1CYP2D6

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