SCHEMBL8277533

SCHEMBL8277533

CCC(C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1C(C(=O)O)c1ccc(C)nc1C

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 20/20 0.83
▸ AVPR2 P30518 2/20 0.77

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
SCHEMBL9973568 1.00 OXTR (0.83) OXTRAVPR2
SCHEMBL11963709 1.00 OXTR (0.83) OXTRAVPR2
Hydrochloric Acid SCHEMBL1597691 0.99 OXTR (0.82) OXTRAVPR2
Hydrochloric Acid SCHEMBL17074009 0.99 OXTR (0.82) OXTRAVPR2
SCHEMBL5429926 0.92 OXTR (0.83) OXTRAVPR2
SCHEMBL1597454 0.91 OXTR (1.00) OXTRAVPR2
SCHEMBL1598563 0.91 OXTR (1.00) OXTRAVPR2
Epelsiban SCHEMBL19641424 0.87 OXTR (1.00) OXTRAVPR2
Epelsiban SCHEMBL6849956 0.87 OXTR (1.00) OXTRAVPR2
Epelsiban SCHEMBL1597672 0.87 OXTR (1.00) OXTRAVPR2

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-2006000399-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-01-05 — — WO disclosed
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