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SCHEMBL31477683

SCHEMBL31477683

NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C1CSSCCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(=O)NC(CC(N)=O)C(=O)N1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 5/20 0.86
▸ AVPR2 P30518 4/20 0.86
▸ AVPR1B P47901 4/20 0.86
▸ OXTR P30559 3/20 0.86
▸ PTGS1 P23219 1/20 0.86

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
Desmopressin SCHEMBL29387302 0.93 OXTR (1.00) AVPR1AAVPR2AVPR1BOXTRPTGS1
Desmopressin SCHEMBL29454824 0.93 OXTR (1.00) AVPR1AAVPR2AVPR1BOXTRPTGS1
Desmopressin SCHEMBL22511 0.93 OXTR (1.00) AVPR1AAVPR2AVPR1BOXTRPTGS1
SCHEMBL31061295 0.92 AVPR2 (0.87) AVPR1AAVPR2AVPR1BOXTRPTGS1
Desmopressin SCHEMBL1172203 0.91 OXTR (0.97) AVPR1AAVPR2AVPR1BOXTRPTGS1
Desmopressin SCHEMBL29935850 0.91 OXTR (0.97) AVPR1AAVPR2AVPR1BOXTRPTGS1
Desmopressin SCHEMBL1171610 0.91 OXTR (0.96) AVPR1AAVPR2AVPR1BOXTRPTGS1
SCHEMBL29926492 0.87 AVPR1A (0.85) AVPR1AAVPR2AVPR1BOXTRPTGS1
Vasopressin SCHEMBL19712236 0.86 AVPR1A (1.00) AVPR1AAVPR2AVPR1BOXTRPTGS1
Vasopressin SCHEMBL18937546 0.86 AVPR1A (1.00) AVPR1AAVPR2AVPR1BOXTRPTGS1

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
WO-2025068686-A1 TREATMENT FOR BATTEN DISEASE THE ROYAL VETERINARY COLLEGE (GB) 2025-04-03 — — WO disclosed
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