SCHEMBL29199429

SCHEMBL29199429

CC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 4/20 0.68
▸ IL1RN P18510 3/20 0.68
▸ ACE P12821 2/20 0.64
▸ GHSR Q92847 1/20 0.64
▸ ERAP1 Q9NZ08 3/20 0.62
▸ ECE1 P42892 3/20 0.60
▸ OPRM1 P35372 1/20 0.60
▸ OPRD1 P41143 1/20 0.60
▸ LNPEP Q9UIQ6 1/20 0.60

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
SCHEMBL29199418 1.00 ERAP2 (0.68) ERAP2IL1RNACEGHSRERAP1
SCHEMBL29993798 0.95 OPRD1 (0.65) ERAP2IL1RNACEGHSRERAP1
SCHEMBL30052407 0.94 ACE (0.69) ACEGHSRECE1
SCHEMBL30052433 0.94 ACE (0.69) ACEGHSRECE1
SCHEMBL30977668 0.93 CCKBR (0.67) ERAP2IL1RNACEGHSRERAP1
SCHEMBL30051087 0.92 ACE (0.75) ERAP2ACEECE1
SCHEMBL30010730 0.91 ERAP1 (0.66) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL30010303 0.91 ERAP1 (0.68) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL29577129 0.91 ERAP1 (0.68) ERAP2IL1RNERAP1OPRM1OPRD1
SCHEMBL30011658 0.91 ERAP1 (0.66) ERAP2IL1RNERAP1OPRM1OPRD1

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
CN-117616034-A Composition for preventing or treating inflammatory bowel disease containing novel compounds 安尼根有限公司 2024-02-27 — — CN disclosed
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