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Sugi Predict / Compounds / SCHEMBL20458989

SCHEMBL20458989

SCHEMBL20458989

CCCCCCCC[C@H](NC(=O)CN(C)C(=O)[C@@H]1CCC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC(C(C)CC)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 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 20/20 0.63
▸ AVPR1B P47901 8/20 0.63
▸ AVPR2 P30518 8/20 0.63
▸ AVPR1A P37288 7/20 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
SCHEMBL17150792 1.00 OXTR (0.63) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17150791 1.00 OXTR (0.63) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL19003840 0.98 OXTR (0.63) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20458919 0.98 OXTR (0.63) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL15840426 0.95 OXTR (0.60) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL20458983 0.95 OXTR (0.60) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17150615 0.95 OXTR (0.59) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL19003838 0.95 OXTR (0.65) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17150784 0.94 OXTR (0.59) OXTRAVPR1BAVPR2AVPR1A
SCHEMBL17150593 0.94 OXTR (0.59) OXTRAVPR1BAVPR2AVPR1A

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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