SCHEMBL21162891

SCHEMBL21162891

CN1C(C)(C)CC(OC(=O)C2CC(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)C(C(=O)OC3CC(C)(C)N(C)C(C)(C)C3)C2)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL9397367 0.93 TSHR (0.34) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21163069 0.92 TSHR (0.31) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21163060 0.91 GAA (0.40) GAA
SCHEMBL21163250 0.91 GAA (0.40) GAA
SCHEMBL21162850 0.91 GAA (0.40) GAA
SCHEMBL21162852 0.91 GAA (0.40) GAA
SCHEMBL21163423 0.89 GAA (0.37) CYP2D6GAAHTT
SCHEMBL21163395 0.87 GAA (0.42) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21162877 0.86 GAA (0.43) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21162867 0.85 TSHR (0.32) TSHRKMT2ACYP2D6GAAHTT

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