Sugi Predict

Sugi Predict / Compounds / SCHEMBL21163071

SCHEMBL21163071

SCHEMBL21163071

CN1C(C)(C)CC(OC(=O)C2CCC(C(=O)OC3CC(C)(C)N(O)C(C)(C)C3)C2C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2D6 P10635 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL21163321 0.94 GAA (0.43) GAAHTTCYP2D6LMNA
SCHEMBL21163324 0.94 TSHR (0.32) GAAHTTCYP2D6LMNA
SCHEMBL21162861 0.91 GAA (0.43) GAAHTTCYP2D6LMNA
SCHEMBL21163423 0.90 GAA (0.37) GAAHTTCYP2D6
SCHEMBL21163556 0.90 GAA (0.39) GAAHTTCYP2D6LMNA
SCHEMBL21163548 0.88 GAA (0.41) GAAHTT
SCHEMBL21163554 0.86 GAA (0.40) GAAHTT
SCHEMBL21163221 0.86 GAA (0.40) GAA
SCHEMBL21163536 0.86 GAA (0.40) GAA
SCHEMBL21163244 0.84 GAA (0.43) GAAHTTCYP2D6LMNA

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