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Atosiban

Atosiban

SCHEMBL19712221

CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)NC(CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C(C(C)O)NC(=O)[C@H](C(C)CC)NC2=O)cc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OXTR

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

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR known ✓ P30559 6/20 0.71
▸ AVPR1A P37288 3/20 0.68
▸ AVPR1B P47901 3/20 0.68
▸ AVPR2 P30518 2/20 0.68

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
Atosiban SCHEMBL29522709 1.00 OXTR (0.71) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL34316 1.00 OXTR (0.71) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL1648581 1.00 OXTR (0.71) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL4410202 0.98 OXTR (0.69) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL3138542 0.98 OXTR (0.69) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL4414282 0.97 OXTR (0.67) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL21255736 0.95 OXTR (0.72) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL26813594 0.90 OXTR (0.58) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15511860 0.89 OXTR (0.81) OXTRAVPR1AAVPR1BAVPR2
Atosiban SCHEMBL13723569 0.88 OXTR (0.56) OXTRAVPR1AAVPR1BAVPR2

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
EP-3257863-A1 FLOUROUS METABOLICALLY STABLE PEPTIDE ANALOGS Université de Strasbourg (FR) 2017-12-20 — — EP disclosed
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