SCHEMBL24595272

SCHEMBL24595272

CC(O)C(N)c1noc([C@H](Cc2ccccc2)NC(=O)N2CCCC2C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.49
▸ MMEL1 Q495T6 1/20 0.49
▸ ACE P12821 11/20 0.46
▸ ACE2 Q9BYF1 4/20 0.44
▸ LTA4H P09960 2/20 0.43

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
SCHEMBL22677493 1.00 MME (0.49) MMEMMEL1ACEACE2LTA4H
SCHEMBL19872246 1.00 MME (0.49) MMEMMEL1ACEACE2LTA4H
SCHEMBL18078113 1.00 MME (0.49) MMEMMEL1ACEACE2LTA4H
SCHEMBL22677474 0.93 MME (0.45) MMEMMEL1ACE
SCHEMBL21377698 0.93 MME (0.45) MMEMMEL1ACE
SCHEMBL19872227 0.93 MME (0.45) MMEMMEL1ACE
SCHEMBL18078117 0.93 MME (0.45) MMEMMEL1ACE
SCHEMBL24058545 0.91 MME (0.43) MMEMMEL1ACELTA4H
SCHEMBL19969264 0.89 ACE (0.46) MMEMMEL1ACEACE2LTA4H
SCHEMBL19969548 0.89 ACE (0.46) MMEMMEL1ACEACE2LTA4H

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-4023645-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS Aurigene Discovery Technologies Limited (IN) 2022-07-06 — — EP disclosed
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