SCHEMBL8097660

SCHEMBL8097660

N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 10/20 0.64
ERAP2 Q6P179 11/20 0.63
IL1RN P18510 7/20 0.63
LNPEP Q9UIQ6 6/20 0.61
TACR1 P25103 3/20 0.58
NMBR P28336 2/20 0.56

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
SCHEMBL15526241 1.00 ERAP1 (0.64) ERAP1ERAP2IL1RNLNPEPTACR1
SCHEMBL645270 0.94 ERAP2 (0.59) ERAP1ERAP2IL1RNLNPEPNMBR
SCHEMBL27785996 0.93 ERAP2 (0.59) ERAP1ERAP2IL1RNLNPEPTACR1
SCHEMBL27785992 0.93 ERAP2 (0.59) ERAP1ERAP2IL1RNLNPEPTACR1
SCHEMBL4842606 0.90 ERAP1 (0.63) ERAP1ERAP2IL1RNLNPEPTACR1
SCHEMBL27764363 0.90 ERAP1 (0.67) ERAP1ERAP2IL1RNLNPEPTACR1
SCHEMBL27764365 0.90 ERAP1 (0.67) ERAP1ERAP2IL1RNLNPEPTACR1
SCHEMBL27855349 0.89 ECE1 (0.55) ERAP1ERAP2IL1RNLNPEPTACR1
SCHEMBL27871526 0.88 ERAP1 (0.68) ERAP1ERAP2IL1RNLNPEPTACR1
SCHEMBL28780567 0.87 ERAP1 (0.59) ERAP1ERAP2IL1RNLNPEPTACR1

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
EP-1042286-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH Wei, Edward T. (US) 2000-10-11 EP disclosed
WO-1999033799-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH WEI EDWARD T (US) 1999-07-08 WO disclosed