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Sugi Predict / Compounds / SCHEMBL21163035

SCHEMBL21163035

SCHEMBL21163035

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)C2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

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
▸ 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
SCHEMBL21163380 0.87 GAA (0.37) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL21163408 0.83 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9397367 0.81 TSHR (0.34) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL21163576 0.80 — —
SCHEMBL21163542 0.80 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163540 0.80 GAA (0.35) —
SCHEMBL21163200 0.79 GAA (0.34) —
SCHEMBL21162891 0.78 TSHR (0.33) CYP2D6LMNA
SCHEMBL21163304 0.78 GAA (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163312 0.78 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3

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