SCHEMBL21163330

SCHEMBL21163330

COC(=O)N1C(C)(C)CC(OC2CC(OC3CC(C)(C)N(C(=O)OC)C(C)(C)C3)C(OC3CC(C)(C)N(C(=O)OC)C(C)(C)C3)C2)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
CYP3A4 P08684 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
SCHEMBL21163248 0.83 GAA (0.32) TSHRGAAHTT
SCHEMBL21163251 0.83 CHRM2 (0.39)
SCHEMBL21163508 0.73
SCHEMBL6045009 0.68 CYP3A4 (0.42) TSHRCYP3A4
SCHEMBL21162845 0.66
SCHEMBL8852955 0.65 CYP3A4 (0.44) TSHRCYP3A4
SCHEMBL21163524 0.65
SCHEMBL21163045 0.64 GAA (0.35) GAA
SCHEMBL12259035 0.62 GAA (0.46) GAAHTT
SCHEMBL21163575 0.61

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