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Sugi Predict / Compounds / SCHEMBL15840401

SCHEMBL15840401

SCHEMBL15840401

C=C1/C=C\C(O)=C/C2CC(=O)N[C@@H](C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 16/20 0.53
▸ AVPR2 P30518 9/20 0.39
▸ AVPR1A P37288 8/20 0.39
▸ AVPR1B P47901 7/20 0.38

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
SCHEMBL21585092 0.76 OXTR (0.55) OXTR
SCHEMBL15840412 0.73 OXTR (0.76) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL15840391 0.73 OXTR (0.76) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL21585120 0.67 OXTR (0.53) OXTRAVPR2AVPR1A
SCHEMBL30190244 0.66 OXTR (0.48) OXTRAVPR2AVPR1A
SCHEMBL29866020 0.65 OXTR (0.60) OXTRAVPR2AVPR1B
SCHEMBL29387878 0.65 OXTR (0.60) OXTRAVPR2AVPR1B
SCHEMBL15839929 0.63 OXTR (0.69) OXTRAVPR2AVPR1AAVPR1B
SCHEMBL16691446 0.63 OXTR (0.56) OXTR
SCHEMBL20459052 0.62 OXTR (0.68) 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
WO-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 — — WO disclosed
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