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Desmopressin

Desmopressin

SCHEMBL6021294

CC(=O)O.N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O.N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=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 8)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A known ✓ P37288 6/20 0.82
▸ AVPR2 known ✓ P30518 4/20 0.82
▸ AVPR1B known ✓ P47901 4/20 0.82
▸ OXTR P30559 9/20 0.82
▸ PTGS1 P23219 1/20 0.82
▸ TBXA2R P21731 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ PDE3A Q14432 1/20 0.69

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 SCHEMBL204511 1.00 OXTR (0.82) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL29354819 1.00 OXTR (0.82) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL347838 0.99 OXTR (0.81) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL28142694 0.99 OXTR (0.81) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL4642385 0.99 OXTR (0.81) OXTRAVPR1AAVPR2AVPR1BPTGS1
SCHEMBL23382246 0.98 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL15933169 0.98 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL2687079 0.98 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL21131126 0.98 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL10053268 0.98 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1

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-1670439-A2 SOLID DOSAGE FORM COMPRISING DESMOPRESSIN FERRING B.V. (NL) 2006-06-21 — — EP disclosed
WO-2005011640-A2 PHARMACEUTICAL DESMOPRESSIN COMPOSITION AS SOLID DOSAGE FORM AND METHOD FOR MANUFACTURING THEREOF FERRING B.V. (NL) 2005-02-10 — — WO disclosed
WO-2004096181-A2 SOLID DOSAGE FORM COMPRISING DESMOPRESSIN FERRING B.V. (NL) 2004-11-11 — — WO disclosed
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