SCHEMBL4077978

SCHEMBL4077978

CCOc1ccccc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c2ccc(C#N)cc21

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.74
CYP3A4 P08684 2/20 0.53

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
Trifluoroacetic Acid SCHEMBL4409467 0.96 AVPR1B (0.70) AVPR1BCYP3A4
SCHEMBL4087742 0.94 AVPR1B (0.75) AVPR1BCYP3A4
SCHEMBL4079830 0.92 AVPR1B (0.78) AVPR1BCYP3A4
SCHEMBL4082679 0.91 AVPR1B (0.77) AVPR1BCYP3A4
SCHEMBL4090677 0.91 AVPR1B (0.76) AVPR1BCYP3A4
SCHEMBL4082193 0.91 AVPR1B (0.80) AVPR1BCYP3A4
Trifluoroacetic Acid SCHEMBL4411345 0.90 AVPR1B (0.71) AVPR1BCYP3A4
SCHEMBL4077880 0.89 AVPR1B (0.78) AVPR1BCYP3A4
Trifluoroacetic Acid SCHEMBL4412663 0.89 AVPR1B (0.70) AVPR1BCYP3A4
SCHEMBL4410120 0.89 AVPR1B (0.77) 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