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Sugi Predict / Compounds / SCHEMBL20459016

SCHEMBL20459016

SCHEMBL20459016

CCC(C)C1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)CC[C@@H](C(=O)NCC(=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

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 15/20 0.69
▸ AVPR2 P30518 9/20 0.69
▸ AVPR1A P37288 9/20 0.69
▸ AVPR1B P47901 9/20 0.63

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
SCHEMBL19003799 1.00 OXTR (0.69) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL17150586 1.00 OXTR (0.69) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL17150785 0.94 OXTR (0.62) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL17150796 0.94 OXTR (0.66) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL17150643 0.93 OXTR (0.69) OXTRAVPR2AVPR1AAVPR1B
Cargutocin SCHEMBL29464048 0.92 OXTR (0.75) OXTRAVPR2AVPR1AAVPR1B
Cargutocin SCHEMBL1649343 0.92 OXTR (0.75) OXTRAVPR2AVPR1AAVPR1B
Cargutocin SCHEMBL1643445 0.92 OXTR (0.75) OXTRAVPR2AVPR1AAVPR1B
Cargutocin SCHEMBL14060161 0.92 OXTR (0.75) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL17150793 0.91 OXTR (0.67) OXTRAVPR2AVPR1AAVPR1B

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-2935312-B1 PEPTIDES AS OXYTOCIN AGONISTS HOFFMANN LA ROCHE (CH) 2018-08-08 — — EP disclosed
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