SCHEMBL21163069

SCHEMBL21163069

CN1C(C)(C)CC(OC(=O)C2CCC(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 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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

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
SCHEMBL21162891 0.92 TSHR (0.33) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL9397367 0.85 TSHR (0.34) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21163324 0.84 TSHR (0.32) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21163503 0.84 CHRM2 (0.30) CHRM2CHRM4CHRM1CHRM3
SCHEMBL21163060 0.84 GAA (0.40) GAA
SCHEMBL21163250 0.84 GAA (0.40) GAA
SCHEMBL21162850 0.84 GAA (0.40) GAA
SCHEMBL21162852 0.84 GAA (0.40) GAA
SCHEMBL19976794 0.83 HTT (0.42) TSHRKMT2ACYP2D6GAAHTT
SCHEMBL21162867 0.81 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