SCHEMBL9410318

SCHEMBL9410318

CC(=O)OC(COc1ccccc1C)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
KMT2A Q03164 7/20 0.46
GAA P10253 1/20 0.42
MEN1 O00255 4/20 0.41
ABCB1 P08183 2/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL9410335 0.91 TSHR (0.51) TSHRKMT2AGAAMEN1THRB
SCHEMBL9410390 0.88 TSHR (0.55) TSHRKMT2AGAAMEN1THRB
SCHEMBL9410320 0.88 TSHR (0.48) TSHRKMT2AGAAMEN1ABCB1
SCHEMBL9410281 0.86 KMT2A (0.57) TSHRKMT2AGAAMEN1ABCB1
SCHEMBL9410319 0.86 TSHR (0.57) TSHRKMT2AGAAMEN1ABCB1
SCHEMBL9410354 0.86 TSHR (0.57) TSHRKMT2AGAAMEN1HTR3E
SCHEMBL11180464 0.86 TSHR (0.57) TSHRKMT2AGAAMEN1HTR3E
SCHEMBL11184014 0.83 TSHR (0.54) TSHRKMT2AGAAMEN1HTR3E
SCHEMBL9410264 0.83 TSHR (0.48) TSHRKMT2AGAAMEN1THRB
SCHEMBL9410336 0.83 TSHR (0.48) TSHRKMT2AGAAMEN1THRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed