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SCHEMBL21162873

SCHEMBL21162873

CCOC(=O)N1C(C)(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)N(C(=O)OCC)C(C)(C)C3)C(OC(=O)C3CC(C)(C)N(C(=O)OCC)C(C)(C)C3)C2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ LMNA P02545 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
SCHEMBL21163380 0.79 GAA (0.37) CYP2D6ALDH1A1GAALMNA
SCHEMBL21163035 0.79 CHRM2 (0.34) CYP2D6LMNA
SCHEMBL21163576 0.76 — —
SCHEMBL21163540 0.72 GAA (0.35) GAA
SCHEMBL21163200 0.72 GAA (0.34) GAA
SCHEMBL21163304 0.71 GAA (0.40) GAA
SCHEMBL21163387 0.71 GAA (0.39) CYP2D6ALDH1A1GAALMNA
SCHEMBL10991831 0.71 GAA (0.39) CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL21163067 0.69 GAA (0.34) CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL10748325 0.69 LMNA (0.34) CYP2D6CYP3A4CYP2C9CYP2C19ALDH1A1

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