SCHEMBL21163409

SCHEMBL21163409

CC1(C)CC(C(=O)OC2CCC(OC(=O)C3CC(C)(C)NC(C)(C)C3)C2OC(=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21163230 0.97 GAA (0.36) GAARECQLMAPK1CHRM2CHRM4
SCHEMBL21163037 0.93 CHRM2 (0.35) GAARECQLCHRM2CHRM4CHRM1
SCHEMBL21163224 0.90 GAA (0.31) GAA
SCHEMBL21163315 0.90 GAA (0.31) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL21162835 0.86 GAA (0.36) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL21163362 0.84 CHRM2 (0.34) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL21163304 0.79 GAA (0.40) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL21163542 0.78 CHRM2 (0.34) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163043 0.78 GAA (0.34) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL21163225 0.77 GAA (0.31) GAA

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