SCHEMBL21163571

SCHEMBL21163571

CC1(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)NC(C)(C)C3)CC(C(=O)OC3CC(C)(C)N(O)C(C)(C)C3)C2)CC(C)(C)N1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21163058 1.00 GAA (0.42) GAAHTTTSHRCHRNB2CHRNB4
SCHEMBL21163246 0.94 GAA (0.40) GAAHTT
SCHEMBL21163434 0.94 GAA (0.40) GAAHTT
SCHEMBL21163573 0.91 GAA (0.46) GAAHTTTSHRCHRNB2CHRNB4
SCHEMBL21163327 0.89 GAA (0.37) GAAHTT
SCHEMBL21162869 0.89 GAA (0.37) GAAHTT
SCHEMBL13949106 0.89 GAA (0.50) GAATSHRCHRNB2CHRNB4CHRNA3
SCHEMBL18931256 0.89 GAA (0.50) GAATSHRCHRNB2CHRNB4CHRNA3
SCHEMBL21163547 0.85 GAA (0.36) GAAHTTL3MBTL1
SCHEMBL21162851 0.85 GAA (0.36) GAAHTTL3MBTL1

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