Sugi Predict

Sugi Predict / Compounds / Selepressin

Selepressin

Selepressin

SCHEMBL28487360

CCC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCCC(N)=O)NC1=O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AVPR1A

The experimentally established mechanism targets of Selepressin. 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
▸ AVPR1A known ✓ P37288 8/20 0.82
▸ OXTR P30559 12/20 0.82
▸ AVPR1B P47901 8/20 0.82
▸ AVPR2 P30518 5/20 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
Selepressin SCHEMBL19712231 1.00 OXTR (0.82) OXTRAVPR1AAVPR1BAVPR2
Selepressin SCHEMBL19712230 1.00 OXTR (0.82) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15511399 0.89 AVPR1A (0.78) OXTRAVPR1AAVPR1BAVPR2
Argiprestocin SCHEMBL1230427 0.89 OXTR (0.84) OXTRAVPR1AAVPR1BAVPR2
SCHEMBL15511015 0.88 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2
Vasotocin SCHEMBL15511393 0.86 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2
Argiprestocin SCHEMBL30424966 0.86 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2
Vasotocin SCHEMBL15511347 0.86 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2
Vasotocin SCHEMBL13331 0.86 OXTR (0.86) OXTRAVPR1AAVPR1BAVPR2
Felypressin SCHEMBL1650172 0.86 AVPR1A (0.82) 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
CN-109748950-B Method for solid-phase synthesis of vasopressin receptor peptide agonist SELEPRESSIN 深圳翰宇药业股份有限公司 2020-10-30 — — CN disclosed
Send feedback