SCHEMBL21148859

SCHEMBL21148859

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 4/20 0.40
IL1RN P18510 3/20 0.38
ERAP1 Q9NZ08 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
BACE1 P56817 4/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB10 P40306 1/20 0.36
PSMB2 P49721 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
SCHEMBL29630559 0.92 ERAP2 (0.41) ERAP2IL1RNERAP1
SCHEMBL7163147 0.89 BACE1 (0.42) ERAP2IL1RNERAP1BACE1BACE2
SCHEMBL7163139 0.89 BACE1 (0.42) ERAP2IL1RNERAP1BACE1BACE2
SCHEMBL30220169 0.89 BACE1 (0.40) BACE1BACE2
SCHEMBL29757432 0.87 BACE1 (0.48) ERAP2BACE1BACE2
SCHEMBL31391114 0.86 SLC6A2 (0.36) OPRM1OPRD1BACE1BACE2
SCHEMBL31454245 0.86 GLP1R (0.43) OPRM1OPRD1BACE1BACE2
SCHEMBL30974548 0.86 BACE1 (0.35) BACE1
SCHEMBL31113634 0.86 CTRB1 (0.36)
SCHEMBL17293240 0.86 CTRB1 (0.37)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494093-B1 METHODS AND USES OF DISSOLVED ORGANIC MATERIAL FRACTIONS FOR BINDING METAL IONS NOBLEGEN INC (CA) 2022-05-18 EP claimed
US-11440822-B2 Methods and uses of dissolved organic material fractions for binding metal ions Noblegen, Inc. (CA) 2022-09-13 US disclosed
EP-3494093-B1 METHODS AND USES OF DISSOLVED ORGANIC MATERIAL FRACTIONS FOR BINDING METAL IONS NOBLEGEN INC (CA) 2022-05-18 EP disclosed
US-20200407252-A1 METHODS AND USES OF DISSOLVED ORGANIC MATERIAL FRACTIONS FOR BINDING METAL IONS TRENT UNIVERSITY (CA) 2020-12-31 US disclosed
US-10773978-B2 Methods and uses of dissolved organic material fractions for binding metal ions Noblegen, Inc. (CA) 2020-09-15 US disclosed
US-20190210898-A1 METHODS AND USES OF DISSOLVED ORGANIC MATERIAL FRACTIONS FOR BINDING METAL IONS TRENT UNIVERSITY (CA) 2019-07-11 US disclosed