SCHEMBL9399801

SCHEMBL9399801

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCCN1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN5A Q14524 1/20 0.31
HSD17B10 Q99714 1/20 0.30
PREP P48147 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
SCHEMBL9020453 0.82 AR (0.34) CHRM2CHRM1CHRM3AR
SCHEMBL31040353 0.82 NR1H2 (0.35) CHRM2CHRM1CHRM3ARPREP
SCHEMBL9399192 0.79 NR1H2 (0.34) CHRM2CHRM1CHRM3AR
SCHEMBL9020513 0.79 PARP1 (0.32) AR
SCHEMBL9020512 0.78 AR (0.34) CHRM2CHRM1CHRM3ARALDH1A1
SCHEMBL9400105 0.78 NR1H2 (0.35) CHRM2CHRM1CHRM3ARPREP
SCHEMBL31040365 0.78 SPR (0.34) CHRM2CHRM1CHRM3AR
SCHEMBL8106545 0.78 SPR (0.34) CHRM2CHRM1CHRM3AR
SCHEMBL9399924 0.77 NR1H2 (0.35) CHRM2CHRM1CHRM3ARALDH1A1
SCHEMBL9399808 0.77 RIPK1 (0.35) CHRM2CHRM1CHRM3ALDH1A1PREP

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
US-5374720-A A thienamycins bactericides has nontoxic, side effect reduction against the kidney and central nervous system BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-12-20 US disclosed