SCHEMBL28278647

SCHEMBL28278647

CC(C)(C)OC(=O)n1c2ccccc2c2cc(OC=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ NR1H2 P55055 8/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL30022454 0.82 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL13696680 0.82 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL4780038 0.82 PTGER4 (0.51) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL15280123 0.80 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL27985045 0.80 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL6483062 0.79 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL802084 0.79 CDK1 (0.54) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL13932559 0.79 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL29357718 0.79 CDK1 (0.54) CHRM2CHRM4CHRM1CHRM3GABRG2
SCHEMBL28632028 0.79 GABRG2 (0.65) CHRM2CHRM4CHRM1CHRM3GABRG2

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
CN-104231023-B Tricyclic fused heterocycle nucleoside phosphoramidate compound, preparation method and application 南京汇诚制药有限公司 2019-02-05 — — CN disclosed
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