SCHEMBL21377698

SCHEMBL21377698

CC(O)C(N)c1noc([C@H](Cc2ccc(O)cc2)NC(=O)N2CCCC2C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.45
▸ MMEL1 Q495T6 1/20 0.45
▸ ACE P12821 6/20 0.42
▸ SLC6A2 P23975 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
SCHEMBL18078117 1.00 MME (0.45) MMEMMEL1ACESLC6A2
SCHEMBL22677474 1.00 MME (0.45) MMEMMEL1ACESLC6A2
SCHEMBL19872227 1.00 MME (0.45) MMEMMEL1ACESLC6A2
SCHEMBL24058545 0.97 MME (0.43) MMEMMEL1ACESLC6A2
SCHEMBL22677413 0.95 MME (0.45) MMEMMEL1ACE
SCHEMBL22677412 0.95 MME (0.45) MMEMMEL1ACE
SCHEMBL22677493 0.93 MME (0.49) MMEMMEL1ACE
SCHEMBL18078113 0.93 MME (0.49) MMEMMEL1ACE
SCHEMBL24595272 0.93 MME (0.49) MMEMMEL1ACE
SCHEMBL19872246 0.93 MME (0.49) MMEMMEL1ACE

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
WO-2019175799-A2 METHOD OF MODULATING TIGIT AND PD-1 SIGNALLING PATHWAYS USING 1,2,4-OXADIAZOLE COMPOUNDS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-09-19 — — WO disclosed
Send feedback