SCHEMBL19264696

SCHEMBL19264696

COC(=O)CNC1=C(C(=O)OC)CCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 14/20 0.40
▸ SLC6A2 P23975 8/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ ACHE P22303 2/20 0.36
▸ SLC6A4 P31645 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
SCHEMBL2597419 0.86 SLC6A3 (0.40) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL12777592 0.79 NLRP3 (0.41) NLRP3
SCHEMBL31384688 0.76 SLC6A3 (0.45) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL11276545 0.76 PTGS2 (0.43) NLRP3
SCHEMBL8128143 0.75 CA12 (0.39) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL8636289 0.74 SLC6A3 (0.53) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL18803284 0.73 NLRP3 (0.35) NLRP3
SCHEMBL8648768 0.73 CA1 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL5656613 0.73 SLC6A3 (0.45) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL29013549 0.73 SLC6A3 (0.42) SLC6A3SLC6A2ACHESLC6A4

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-2571857-B1 PROCESS FOR THE PREPARATION OF PYRIMIDINONE COMPOUNDS GLAXO GROUP LTD (GB) 2017-08-23 — — EP disclosed
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