SCHEMBL29532162

SCHEMBL29532162

CC(C)C[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 7/20 0.70
ECE1 P42892 5/20 0.68
IL1RN P18510 5/20 0.66
ACE P12821 2/20 0.64
ERAP1 Q9NZ08 5/20 0.64
ANPEP P15144 1/20 0.62

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
SCHEMBL30051575 1.00 ERAP2 (0.70) ERAP2ECE1IL1RNACEERAP1
SCHEMBL29531288 1.00 ERAP2 (0.70) ERAP2ECE1IL1RNACEERAP1
SCHEMBL30051984 0.96 ERAP2 (0.67) ERAP2ECE1IL1RNACEERAP1
SCHEMBL30051680 0.96 ECE1 (0.66) ERAP2ECE1IL1RNACEERAP1
SCHEMBL30051546 0.95 ERAP2 (0.73) ERAP2ECE1IL1RNACEERAP1
SCHEMBL29531545 0.95 ERAP2 (0.73) ERAP2ECE1IL1RNACEERAP1
SCHEMBL29531276 0.95 ERAP2 (0.73) ERAP2ECE1IL1RNACEERAP1
SCHEMBL29556559 0.94 OPRM1 (0.62) ERAP2ECE1IL1RNACEERAP1
SCHEMBL29555989 0.94 OPRM1 (0.62) ERAP2ECE1IL1RNACEERAP1
SCHEMBL30051690 0.93 ERAP2 (0.73) ERAP2ECE1IL1RNACEERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220040255-A1 CHEMOTHERAPEUTIC REMODELING OF THE GUT MICROBIOME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-02-10 US claimed
US-20220040255-A1 CHEMOTHERAPEUTIC REMODELING OF THE GUT MICROBIOME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-02-10 US disclosed