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Sugi Predict / Compounds / Desmopressin

Desmopressin

Desmopressin

SCHEMBL28867243

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O.NC(=O)CC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AVPR1AAVPR1BAVPR2

The experimentally established mechanism targets of Desmopressin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A known ✓ P37288 8/20 0.82
▸ AVPR2 known ✓ P30518 7/20 0.82
▸ AVPR1B known ✓ P47901 7/20 0.82
▸ OXTR P30559 15/20 0.82
▸ PTGS1 P23219 1/20 0.82

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
SCHEMBL29618038 0.94 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1BPTGS1
Vasotocin SCHEMBL15511347 0.93 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1BPTGS1
Argiprestocin SCHEMBL30424966 0.93 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1BPTGS1
Vasotocin SCHEMBL13331 0.93 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1BPTGS1
Vasotocin SCHEMBL15511393 0.93 OXTR (0.86) OXTRAVPR1AAVPR2AVPR1BPTGS1
Oxytocin SCHEMBL28086558 0.93 OXTR (0.93) OXTRAVPR1AAVPR2AVPR1B
SCHEMBL15511428 0.91 OXTR (0.82) OXTRAVPR1AAVPR2AVPR1BPTGS1
Demoxytocin SCHEMBL38443 0.91 AVPR1A (0.88) OXTRAVPR1AAVPR2AVPR1B
Demoxytocin SCHEMBL29376547 0.91 AVPR1A (0.88) OXTRAVPR1AAVPR2AVPR1B
Demoxytocin SCHEMBL38442 0.91 AVPR1A (0.88) OXTRAVPR1AAVPR2AVPR1B

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
CN-104940943-B By spraying with the mucocutaneous attached type preparation of gel-type and the drug delivery system for using it 东兴药品工业株式会社 2019-01-04 — — CN disclosed
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