SCHEMBL30844985

SCHEMBL30844985

CNC(=O)c1csc2c(C(F)(F)F)c(F)c(N3CCC(OC(=O)NC4CC4)CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ UGT8 Q16880 19/20 0.55
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34

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
SCHEMBL21813607 1.00 UGT8 (0.55) UGT8HTR1ADRD2HTR2A
SCHEMBL21813894 0.91 UGT8 (0.55) UGT8
SCHEMBL21813340 0.87 UGT8 (0.71) UGT8
SCHEMBL21813341 0.87 UGT8 (0.71) UGT8
SCHEMBL21813991 0.82 UGT8 (0.80) UGT8
SCHEMBL21813677 0.81 UGT8 (0.44) UGT8
SCHEMBL21813414 0.79 UGT8 (0.80) UGT8
SCHEMBL21813700 0.79 UGT8 (0.70) UGT8
SCHEMBL21862117 0.79 UGT8 (0.71) UGT8
SCHEMBL21813679 0.78 UGT8 (0.42) UGT8

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
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 — — CN claimed
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 — — CN disclosed
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