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Sugi Predict / Compounds / SCHEMBL21163408

SCHEMBL21163408

SCHEMBL21163408

CN1C(C)(C)CC(C(=O)OC2CC(OC(=O)C3CC(C)(C)N(C)C(C)(C)C3)C(OC(=O)C3CC(C)(C)N(C)C(C)(C)C3)C2OC(=O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL21163374 0.91 GAA (0.31) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21162824 0.90 GAA (0.31) —
SCHEMBL21163542 0.87 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21162846 0.87 GAA (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163520 0.85 GAA (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163424 0.84 CHRM2 (0.30) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163312 0.84 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163035 0.83 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163334 0.83 CHRM2 (0.31) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163437 0.83 — —

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