SCHEMBL30128526

SCHEMBL30128526

NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.55
▸ TSHR P16473 1/20 0.52
▸ OPRM1 P35372 2/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ SLC6A2 P23975 1/20 0.49

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
SCHEMBL30358542 0.96 ACE (0.58) ACETSHROPRM1
SCHEMBL29630415 0.95 OPRM1 (0.52) ACETSHROPRM1OPRD1SLC6A2
SCHEMBL29630448 0.93 NMUR2 (0.51) ACESLC6A2
SCHEMBL30165330 0.92 ACE (0.57) ACETSHR
SCHEMBL30785408 0.90 ACE (0.59) ACESLC6A2
SCHEMBL11060360 0.87 LTA4H (0.61) ACETSHR
SCHEMBL29630391 0.87 ACE (0.55) ACETSHROPRM1OPRD1
SCHEMBL30010736 0.86 ACE (0.56) ACEOPRM1SLC6A2
SCHEMBL31325182 0.85 OPRM1 (0.65) OPRM1OPRD1SLC6A2
SCHEMBL5030497 0.84 ACE (0.54) ACETSHROPRM1OPRD1

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
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