SCHEMBL4742339

SCHEMBL4742339

COc1ccc(C)cc1C1(N2CCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2cccc3cccnc23)c2ccc(C#N)cc21

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.79
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
SCHEMBL2888754 0.92 AVPR1B (0.77) AVPR1BCYP3A4
SCHEMBL2893017 0.90 AVPR1B (0.88) AVPR1BCYP3A4
SCHEMBL2891647 0.88 AVPR1B (0.88) AVPR1BCYP3A4
SCHEMBL2885729 0.88 AVPR1B (1.00) AVPR1BCYP3A4
SCHEMBL2888981 0.87 AVPR1B (0.79) AVPR1BCYP3A4
SCHEMBL2889278 0.86 AVPR1B (0.79) AVPR1B
SCHEMBL2890758 0.86 AVPR1B (0.78) AVPR1BCYP3A4
SCHEMBL4077879 0.86 AVPR1B (0.92) AVPR1BCYP3A4
SCHEMBL2885059 0.86 AVPR1B (0.91) AVPR1BCYP3A4
SCHEMBL2889121 0.86 AVPR1B (0.84) 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
US-8486931-B2 Substituted oxindole compounds ABBOTT GMBH & CO. KG (DE) 2013-07-16 US claimed
WO-2008107399-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2008-09-12 WO disclosed