SCHEMBL21163251

SCHEMBL21163251

CC(C)(C)OC(=O)N1C(C)(C)CC(OC2CC(OC3CC(C)(C)N(C(=O)OC(C)(C)C)C(C)(C)C3)C(OC3CC(C)(C)N(C(=O)OC(C)(C)C)C(C)(C)C3)C2)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
EPHX2 P34913 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
RECQL P46063 1/20 0.31
CTSK P43235 1/20 0.31
CCR2 P41597 1/20 0.31
GPR119 Q8TDV5 4/20 0.30
HPGD P15428 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
SCHEMBL21163330 0.83 TSHR (0.31)
SCHEMBL21163248 0.80 GAA (0.32)
SCHEMBL15769252 0.76 CHRM2 (0.46) CHRM2CHRM1CHRM3EPHX2USP2
SCHEMBL21162862 0.74 CHRM2 (0.38) CHRM2CHRM1CHRM3EPHX2USP2
SCHEMBL1964183 0.74 KDM1A (0.38) CHRM2CHRM1CHRM3EPHX2USP2
SCHEMBL10329349 0.72 TSHR (0.34) CHRM2CHRM1CHRM3EPHX2USP2
SCHEMBL25737166 0.72 CTSK (0.33) CHRM2CHRM1CHRM3EPHX2USP2
SCHEMBL17921284 0.71 SPHK1 (0.33) CHRM2CHRM1CHRM3EPHX2NR1H2
SCHEMBL25737196 0.70 NR1H2 (0.34) CHRM2CHRM1CHRM3EPHX2NR1H2
SCHEMBL25736676 0.70 CTSK (0.32) CHRM2CHRM1CHRM3EPHX2NR1H2

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