SCHEMBL30844027

SCHEMBL30844027

CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.49
▸ OPRM1 P35372 4/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ CTSB P07858 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ FOLH1 Q04609 3/20 0.41
▸ BACE1 P56817 2/20 0.38
▸ CTSD P07339 1/20 0.38

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
SCHEMBL31427601 0.96 OPRD1 (0.47) OPRD1OPRM1OPRK1CTSBNOD1
SCHEMBL30853510 0.89 NOD1 (0.45) OPRD1OPRM1OPRK1NOD1FOLH1
SCHEMBL31487991 0.89 OPRM1 (0.47) OPRD1OPRM1OPRK1CTSBNOD1
SCHEMBL29590533 0.86 NOD1 (0.41) OPRD1OPRM1OPRK1NOD1FOLH1
SCHEMBL30285977 0.86 OPRD1 (0.49) OPRD1OPRM1OPRK1FOLH1
SCHEMBL30844024 0.85 FOLH1 (0.45) OPRD1OPRM1OPRK1CTSBNOD1
SCHEMBL29630491 0.85 FOLH1 (0.49) NOD1FOLH1BACE1CTSD
SCHEMBL30320500 0.85 OPRM1 (0.43) OPRD1OPRM1OPRK1NOD1FOLH1
SCHEMBL29771973 0.85 FOLH1 (0.44) OPRD1OPRM1OPRK1CTSBFOLH1
SCHEMBL30695077 0.84 FOLH1 (0.46) OPRD1OPRM1OPRK1CTSBNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250268291-A1 FLAVOR COMPOSITIONS AND SCREENING METHODS FOR IDENTIFYING THE SAME MARS, INCORPORATED (US) 2025-08-28 — — US disclosed
US-12317911-B2 Flavor compositions and screening methods for identifying the same MARS, INCORPORATED (US) 2025-06-03 — — US disclosed
EP-3768092-B1 FLAVOR COMPOSITIONS AND METHODS FOR PREPARING THE SAME MARS INC (US) 2024-10-02 — — EP disclosed
CN-112533485-B Flavor composition and screening method for identifying flavor composition 马斯公司 2024-04-12 — — CN disclosed
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