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SCHEMBL29160802

SCHEMBL29160802

CC1CN(S(=O)(=O)Cl)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.43
▸ SETD7 Q8WTS6 2/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ NR1H2 P55055 8/20 0.37
▸ NR1H3 Q13133 6/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD11B1 P28845 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
SCHEMBL29160800 1.00 GPR119 (0.43) GPR119SETD7MAP4K4NR1H2NR1H3
SCHEMBL17439221 0.88 GPR119 (0.45) GPR119SETD7MAP4K4NR1H2NR1H3
SCHEMBL17439222 0.88 GPR119 (0.45) GPR119SETD7MAP4K4NR1H2NR1H3
SCHEMBL7890028 0.80 POLB (0.49) GPR119HSD11B1
SCHEMBL7893776 0.80 POLB (0.49) GPR119HSD11B1
SCHEMBL271429 0.78 TSHR (0.56) GPR119SETD7MAP4K4NR1H2TSHR
SCHEMBL527701 0.78 TSHR (0.56) GPR119SETD7MAP4K4NR1H2TSHR
SCHEMBL344752 0.78 TSHR (0.56) GPR119SETD7MAP4K4NR1H2TSHR
SCHEMBL6912374 0.78 SETD7 (0.46) GPR119SETD7MAP4K4NR1H2HDAC1
SCHEMBL10196598 0.78 SETD7 (0.46) GPR119SETD7MAP4K4NR1H2HDAC1

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-117412964-A Substituted heterocyclic compounds and their use 首药控股(北京)股份有限公司 2024-01-16 — — CN disclosed