SCHEMBL4077879

SCHEMBL4077879

COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(C)ccc3OC)(N3CCN(c4ccncc4)CC3)c3cc(C#N)ccc32)c(OC)c1

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.92
CYP3A4 P08684 2/20 0.56

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
SCHEMBL4085601 0.96 AVPR1B (1.00) AVPR1BCYP3A4
SCHEMBL4090140 0.95 AVPR1B (0.92) AVPR1BCYP3A4
Trifluoroacetic Acid SCHEMBL4409575 0.94 AVPR1B (0.81) AVPR1BCYP3A4
SCHEMBL4077589 0.92 AVPR1B (0.90) AVPR1BCYP3A4
SCHEMBL4087661 0.91 AVPR1B (1.00) AVPR1BCYP3A4
SCHEMBL4077876 0.90 AVPR1B (1.00) AVPR1BCYP3A4
SCHEMBL4082347 0.90 AVPR1B (0.89) AVPR1BCYP3A4
SCHEMBL4090942 0.89 AVPR1B (0.86) AVPR1B
SCHEMBL4082763 0.89 AVPR1B (1.00) AVPR1BCYP3A4
SCHEMBL4087495 0.88 AVPR1B (0.86) AVPR1BCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066657-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2009-06-10 EP disclosed
WO-2008025735-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO disclosed