SCHEMBL30128516

SCHEMBL30128516

N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.73
OPRM1 P35372 3/20 0.73
ERAP1 Q9NZ08 5/20 0.66
LNPEP Q9UIQ6 4/20 0.66
ERAP2 Q6P179 4/20 0.66
CCKAR P32238 1/20 0.56
CCKBR P32239 1/20 0.56
IL1RN P18510 1/20 0.54
LTA4H P09960 1/20 0.54
ALOX15 P16050 1/20 0.53
OPRK1 P41145 1/20 0.52
ACE P12821 1/20 0.52

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
SCHEMBL30307613 0.98 OPRD1 (0.75) OPRD1OPRM1ERAP1LNPEPERAP2
SCHEMBL31106415 0.95 OPRD1 (0.73) OPRD1OPRM1ERAP1LNPEPERAP2
SCHEMBL30052858 0.93 OPRM1 (0.69) OPRD1OPRM1ERAP1LNPEPERAP2
SCHEMBL31256945 0.91 OPRD1 (0.71) OPRD1OPRM1ERAP1LNPEPERAP2
SCHEMBL31340088 0.91 OPRD1 (0.71) OPRD1OPRM1ERAP1LNPEPERAP2
SCHEMBL31285639 0.91 OPRD1 (0.70) OPRD1OPRM1ERAP1LNPEPERAP2
SCHEMBL29657711 0.90 OPRD1 (0.70) OPRD1OPRM1ERAP1LNPEPERAP2
SCHEMBL30052764 0.90 KDM4E (0.62) OPRD1OPRM1ERAP2ALOX15ACE
SCHEMBL30307614 0.89 OPRD1 (0.73) OPRD1OPRM1ERAP1LNPEPERAP2
SCHEMBL30051323 0.89 OPRM1 (0.68) OPRD1OPRM1ERAP1LNPEPERAP2

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
US-20220395521-A1 MICROBIOME REGULATORS AND RELATED USES THEREOF KALEIDO BIOSCIENCES, INC. (US) 2022-12-15 US disclosed