SCHEMBL29794033

SCHEMBL29794033

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.54
▸ OPRM1 P35372 6/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ PTGS1 P23219 1/20 0.49
▸ GSTK1 Q9Y2Q3 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
SCHEMBL29519472 0.94 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL29519497 0.94 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL29519462 0.94 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL29351019 0.87 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL31257004 0.87 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL4405062 0.87 SLC7A5 (0.55) OPRD1OPRM1OPRK1
SCHEMBL4405069 0.87 SLC7A5 (0.55) OPRD1OPRM1OPRK1
SCHEMBL15133708 0.86 OPRD1 (0.53) OPRD1OPRM1OPRK1
SCHEMBL29658943 0.86 MME (0.60) OPRD1OPRM1OPRK1PTGS1GSTK1
SCHEMBL29658873 0.86 MME (0.60) OPRD1OPRM1OPRK1PTGS1GSTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4351619-A1 METHOD OF TREATING PATIENTS WITH HEPATORENAL SYNDROME TYPE 1 Mallinckrodt Pharmaceuticals Ireland Limited (IE) 2024-04-17 — — EP disclosed
WO-2022261102-A1 METHOD OF TREATING PATIENTS WITH HEPATORENAL SYNDROME TYPE 1 MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2022-12-15 — — WO disclosed
EP-4051310-A1 METHOD OF TREATING PATIENTS WITH HEPATORENAL SYNDROME TYPE 1 AND LOW MEAN ARTERIAL PRESSURE Mallinckrodt Hospital Products IP Unlimited Company (IE) 2022-09-07 — — EP disclosed
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