SCHEMBL9617697

SCHEMBL9617697

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
MME P08473 2/20 0.53
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 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
SCHEMBL9617696 1.00 LTA4H (0.55) LTA4HMMEOPRM1OPRD1OPRK1
SCHEMBL27691470 1.00 LTA4H (0.55) LTA4HMMEOPRM1OPRD1OPRK1
SCHEMBL30517753 0.96 LTA4H (0.53) LTA4HMME
SCHEMBL30799848 0.92 OPRM1 (0.54) LTA4HMMEOPRM1OPRD1OPRK1
SCHEMBL30728889 0.92 MME (0.50) LTA4HMME
SCHEMBL29531754 0.92 MME (0.50) LTA4HMME
SCHEMBL29705780 0.92 OPRD1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL34470345 0.92 MME (0.42) LTA4HMMEOPRM1OPRD1OPRK1
SCHEMBL30400489 0.91 NPY4R (0.52) LTA4HOPRM1OPRD1
SCHEMBL31259942 0.91 MME (0.47) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4058898-A None JP disclosed
US-20250242039-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS THORNHILL THERAPEUTICS INC (US) 2025-07-31 US disclosed
US-20240226243-A9 CHOLIX TOXIN-DERIVED FUSION MOLECULES FOR ORAL DELIVERY OF BIOLOGICALLY ACTIVE CARGO THORNHILL THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240207372-A1 CHOLIX TOXIN-DERIVED FUSION MOLECULES FOR ORAL DELIVERY OF BIOLOGICALLY ACTIVE CARGO APPLIED MOLECULAR TRANSPORT INC. 2024-06-27 US disclosed
US-20240131118-A1 CHOLIX TOXIN-DERIVED FUSION MOLECULES FOR ORAL DELIVERY OF BIOLOGICALLY ACTIVE CARGO APPLIED MOLECULAR TRANSPORT INC (US) 2024-04-25 US disclosed
JP-H0458898-A TRIPEPTIDE AND ACTIVITY MEASUREMENT OF ANGIOTENSIN-CONVERSION ENZYME USING SAME COMPOUND FUJIREBIO INC 1992-02-25 JP disclosed